| SpectraBase Spectrum ID |
2ljTv3goS8m |
| Name |
3-Methoxy-benzoic acid pentyl ester |
| CAS Registry Number |
77201-14-0 |
| Classification |
Pharmaceutical drug precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-3-4-5-9-16-13(14)11-7-6-8-12(10-11)15-2/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey |
UUZIQXXDQOPJQU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
999 |
| Retention Index |
1727 |
| SMILES |
C=1(C(OCCCCC)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-0udi-3910000000-5f6f422a837369ce3c86 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid
Pentyl m-methoxybenzoate
m-Anisic acid pentyl ester
3-methoxy-
pentyl ester
Pentyl-3-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022280 |
