| SpectraBase Spectrum ID |
7Giu4nU7hLw |
| Name |
Butyrate |
| CAS Registry Number |
2432-91-9 |
| 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 |
174.107836373 u |
| Formula |
C9H18OS |
| InChI |
InChI=1S/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3 |
| InChIKey |
MQAVHZCNCJTJJP-UHFFFAOYSA-N |
| Molecular Weight |
174.302 g/mol |
| Number of Peaks |
50 |
| RI1 |
1148 |
| RI2 |
825 |
| SMILES |
C(=O)(SC(CC)C)CC(C)C |
| SPLASH |
splash10-0a4r-9000000000-679e4c3c23d8a483f382 |
| 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 |
Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester |
| Wiley ID |
LM_FFNSC3_1917 |
