| SpectraBase Spectrum ID |
DniFc08HTdY |
| Name |
3-Methoxy-benzoic acid octyl ester |
| Classification |
Pharmaceutical drug precursor |
| 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/c1-3-4-5-6-7-8-12-19-16(17)14-10-9-11-15(13-14)18-2/h9-11,13H,3-8,12H2,1-2H3 |
| InChIKey |
LYMZTVMNABDKCQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
264.365 g/mol |
| Nominal Mass |
264 u |
| Quality |
996 |
| Retention Index |
2044 |
| SMILES |
C=1(C(OCCCCCCCC)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-0udi-2900000000-74072e676fc70a1ff578 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Octyl m-methoxybenzoate
m-Anisic acid octyl ester
m-Methoxybenzoic acid,octyl ester
Octyl-3-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015075 |
