| SpectraBase Spectrum ID |
FSSGmc5WfW5 |
| Name |
BUTANOIC ACID, 3-METHYL-, METHYL ESTER |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey |
OQAGVSWESNCJJT-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Number of Peaks |
35 |
| SMILES |
CC(C)CC(OC)=O |
| SPLASH |
splash10-0abc-9000000000-0fe184301b4a7aac81e7 |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Wiley ID |
MVX000349 |
