| SpectraBase Spectrum ID |
7As2j44Q02u |
| Name |
Vanillic acid |
| CAS Registry Number |
121-34-6 |
| 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 |
168.042258734 u |
| Formula |
C8H8O4 |
| InChI |
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| InChIKey |
WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| Molecular Weight |
168.148 g/mol |
| Number of Peaks |
48 |
| RI1 |
1574 |
| RI2 |
1252 |
| RI5 |
1538 |
| SMILES |
Oc1c(cc(C(=O)O)cc1)OC |
| SPLASH |
splash10-0uxr-6900000000-04f72c57ff3124655626 |
| 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 <4-hydroxy-, 3-methoxy-> |
| Wiley ID |
LM_FFNSC3_3184 |
