| SpectraBase Spectrum ID |
B3fST5W0Cwa |
| Name |
4-Methoxy-benzoic acid n-heptyl ester |
| CAS Registry Number |
5452-08-4 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-3-4-5-6-7-12-18-15(16)13-8-10-14(17-2)11-9-13/h8-11H,3-7,12H2,1-2H3 |
| InChIKey |
OEYMSYGFUQPUKZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
250.338 g/mol |
| Nominal Mass |
250 u |
| Quality |
995 |
| Retention Index |
1964 |
| SMILES |
C=1(C(OCCCCCCC)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-0udr-2900000000-daad5e9e0868e064bf3c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
n-Heptyl-4-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015125 |
