| SpectraBase Spectrum ID |
2lWVeAKuATI |
| Name |
4-Methoxy-benzoic acid n-octyl ester |
| CAS Registry Number |
75156-21-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
264.172544630 u |
| Formula |
C16H24O3 |
| InChI |
InChI=1S/C16H24O3/c1-3-4-5-6-7-8-13-19-16(17)14-9-11-15(18-2)12-10-14/h9-12H,3-8,13H2,1-2H3 |
| InChIKey |
MYWIXKRFXVEVBP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
264.365 g/mol |
| Nominal Mass |
264 u |
| Quality |
995 |
| Retention Index |
2054 |
| SMILES |
C=1(C(OCCCCCCCC)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-0udi-2900000000-e6559bba0c5120be93ca |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
n-Octyl-4-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015126 |
