| SpectraBase Spectrum ID |
IowAPtzTs7h |
| Name |
Benzoic acid <3,5-dimethyl-> |
| CAS Registry Number |
499-06-9 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
150.068079560 u |
| Formula |
C9H10O2 |
| InChI |
InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11) |
| InChIKey |
UMVOQQDNEYOJOK-UHFFFAOYSA-N |
| Molecular Weight |
150.177 g/mol |
| Number of Peaks |
31 |
| RI1 |
1381 |
| RI2 |
1060 |
| SMILES |
OC(c1cc(cc(c1)C)C)=O |
| SPLASH |
splash10-0zfr-4900000000-87b5fe41a68c34278ebc |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzoic acid, 3,5-dimethyl- |
| Wiley ID |
LM_FFNSC3_1016 |
