| SpectraBase Spectrum ID |
GWCdCQM8h10 |
| Name |
4-Methylbenzoic acid ET |
| CAS Registry Number |
94-08-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey |
NWPWRAWAUYIELB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| SMILES |
c1cc(C(OCC)=O)ccc1C |
| SPLASH |
splash10-014i-5900000000-663fa09172b0756e82de |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6473 |
