| SpectraBase Spectrum ID |
FhdbRpINMHm |
| Name |
Heptanoic acid, 3-methyl-4-(1-methylethyl)phenyl ester |
| CAS Registry Number |
129375-06-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H26O2 |
| InChI |
InChI=1S/C17H26O2/c1-5-6-7-8-9-17(18)19-15-10-11-16(13(2)3)14(4)12-15/h10-13H,5-9H2,1-4H3 |
| InChIKey |
FHLKDVKZVDLDLO-UHFFFAOYSA-N |
| Molecular Weight |
262.393 g/mol |
| SMILES |
c1(c(cc(cc1)OC(=O)CCCCCC)C)C(C)C |
| SPLASH |
splash10-0udi-0920000000-8b5d6c9423091c222700 |
| Source of Spectrum |
AH-121-233-20 |
| Synonyms |
3-Methyl-4-(1-methylethyl)phenyl heptanoate
4-isopropyl-3-methylphenyl heptanoate
heptanoic acid (3-methyl-4-propan-2-ylphenyl) ester
(3-methyl-4-propan-2-ylphenyl) heptanoate
(4-isopropyl-3-methyl-phenyl) heptanoate
(3-methyl-4-propan-2-yl-phenyl) heptanoate |
| Wiley ID |
1266328 |
