Table 3 Reference oil molecules.
Name | Formal name | Chemical formula | SMILES |
|---|---|---|---|
13nddh | 13-n-dodecylhexacosane | C38H78 | CCCCCCCCCCCCCC(CCCCCCCCCCCC)CCCCCCCCCCCC |
9nhhd | 9-Hexylheptadecane | C23H48 | CCCCCCCCC(CCCCCC)CCCCCCCC |
9chhd | 9-Cyclohexylheptadecane | C23H46 | CCCCCCCCC(CCCCCCCC)C1CCCCC1 |
11chh | 11-Cyclohexylheneicosane | C27H54 | CCCCCCCCCCC(C1CCCCC1)CCCCCCCCCC |
1_1dchtd | 1,1-dicyclohexyltetradecane | C26H50 | C(C1CCCCC1)(C1CCCCC1)CCCCCCCCCCCCC |
13php | 13-Phenylpentacosane | C31H56 | CCCCCCCCCCCCC(c1ccccc1)CCCCCCCCCCCC |
11ndd | 11-Decyldocosane | C32H66 | CCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCCC |
1_1dphtd | 1,1-Diphenyltetradecane | C26H38 | C(c1ccccc1)(c1ccccc1)CCCCCCCCCCCCC |
diiso_seb | Bis(2-ethylhexyl) sebacate | C26H50O4 | CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC |
2m4odp | 2-methoxy-4-[(octadec-9-enylamino)methyl]phenol | C26H45NO2 | CCCCCCCCC=CCCCCCCCCNCc1ccc(c(c1)OC)O |
1c2cmh | 1-cyclohexyl-2-cyclohexylmethyl-heptadecane | C30H58 | CCCCCCCCCCCCCCCC(CC1CCCCC1)CC2CCCCC2 |
13cp | 13-Cyclohexylpentacosane | C31H62 | CCCCCCCCCCCCC(CCCCCCCCCCCC)C1CCCCC1 |