| SpectraBase Spectrum ID |
DoIaGV0wzFQ |
| Name |
3-Methoxybenzoic acid heptyl ester |
| CAS Registry Number |
69833-40-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-3-4-5-6-7-11-18-15(16)13-9-8-10-14(12-13)17-2/h8-10,12H,3-7,11H2,1-2H3 |
| InChIKey |
NDQYJNNGAZICSH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
250.338 g/mol |
| Nominal Mass |
250 u |
| Quality |
965 |
| Retention Index |
1921 |
| SMILES |
C=1(C(OCCCCCCC)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-0udi-3900000000-841002735b0b175d6a83 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Heptyl m-methoxybenzoate
m-Anisic acid heptyl ester
Heptyl-3-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006745 |
