| SpectraBase Spectrum ID |
2mUqsTS5ITw |
| Name |
Diphenylaceticacid methyl ester |
| CAS Registry Number |
3469-00-9 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
226.099379689 u |
| Formula |
C15H14O2 |
| InChI |
InChI=1S/C15H14O2/c1-17-15(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3 |
| InChIKey |
AORIUCNKPVHMTN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.275 g/mol |
| Nominal Mass |
226 u |
| Quality |
931 |
| Retention Index |
1692 |
| SMILES |
C(C1=CC=CC=C1)(C=1C=CC=CC1)C(OC)=O |
| SPLASH |
splash10-014i-0900000000-714475066b53ba02feef |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Adiphenine-A
methyl diphenylacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001208 |
