| SpectraBase Spectrum ID |
DmF0RXDICrB |
| Name |
Vanillate |
| Source of Sample |
SAFC Cat.no. W510319 |
| CAS Registry Number |
3943-74-6 |
| 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 |
182.057908798 u |
| Formula |
C9H10O4 |
| InChI |
InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 |
| InChIKey |
BVWTXUYLKBHMOX-UHFFFAOYSA-N |
| Molecular Weight |
182.175 g/mol |
| Number of Peaks |
50 |
| RI1 |
1514 |
| RI2 |
1191 |
| RI3 |
1943 |
| RI4 |
1908 |
| SMILES |
Oc1c(cc(C(=O)OC)cc1)OC |
| SPLASH |
splash10-0udi-3900000000-7340eea2901e1e4fb021 |
| 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-, methyl ester |
| Wiley ID |
LM_FFNSC3_741 |
