| SpectraBase Spectrum ID |
2vhwli8gEGs |
| Name |
Methyl atrarate |
| Source of Sample |
SAFC Cat.no. W523305 |
| CAS Registry Number |
4707-47-5 |
| 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 |
196.073558862 u |
| Formula |
C10H12O4 |
| InChI |
InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3 |
| InChIKey |
UUQHKWMIDYRWHH-UHFFFAOYSA-N |
| Molecular Weight |
196.202 g/mol |
| Number of Peaks |
50 |
| RI1 |
1708 |
| RI2 |
1384 |
| SMILES |
Oc1c(c(cc(c1C)O)C)C(=O)OC |
| SPLASH |
splash10-01p9-3900000000-d26b0471753f758d4eaf |
| 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, 2,4-dihydroxy-3,6-dimethyl-, methyl ester |
| Wiley ID |
LM_FFNSC3_2042 |
