| SpectraBase Spectrum ID |
6qjkiSqRqB1 |
| Name |
Pyromucic acid methyl ester |
| Source of Sample |
SAFC Cat.no. W270318 |
| CAS Registry Number |
611-13-2 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
126.031694050 u |
| Formula |
C6H6O3 |
| InChI |
InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3 |
| InChIKey |
HDJLSECJEQSPKW-UHFFFAOYSA-N |
| Molecular Weight |
126.111 g/mol |
| Number of Peaks |
26 |
| RI1 |
972 |
| RI2 |
645 |
| SMILES |
c1(occc1)C(=O)OC |
| SPLASH |
splash10-0002-9100000000-bc0f4c88f6f8be0a42e7 |
| 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 |
2-Furancarboxylic acid, methyl ester |
| Wiley ID |
LM_FFNSC3_390 |
