| SpectraBase Spectrum ID |
2jVL6tAquvj |
| Name |
methyl (S,Z)-12-(4-(3-oxobutyl)phenoxy)octadec-9-enoate |
| Appearance |
Colorless liquid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.339609957 u |
| Formula |
C29H46O4 |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C29H46O4/c1-4-5-6-13-16-27(33-28-23-21-26(22-24-28)20-19-25(2)30)17-14-11-9-7-8-10-12-15-18-29(31)32-3/h11,14,21-24,27H,4-10,12-13,15-20H2,1-3H3/b14-11-/t27-/m0/s1 |
| InChIKey |
YWGDKVVNWWSXPJ-FRCQCVPTSA-N |
| Inlet Type |
Splitless |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
458.683 g/mol |
| Quality |
94 |
| SMILES |
COC(CCCCCCC\C=C/C[C@](CCCCCC)(OC1=CC=C(C=C1)CCC(C)=O)[H])=O |
| SPLASH |
splash10-08fr-1920000000-33e4454be350d8d389c5 |
| Source of Spectrum |
WO2023067040A1 |
| Wiley ID |
1897183 |
