| SpectraBase Spectrum ID |
IHBEo3StFoy |
| Name |
HEPTANOIC ACID, 3-METHYLBUTYL 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 |
200.177630011 u |
| Formula |
C12H24O2 |
| InChI |
InChI=1S/C12H24O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey |
AFCXVDRTNQNGHS-UHFFFAOYSA-N |
| Molecular Weight |
200.322 g/mol |
| Nominal Mass |
200 u |
| Number of Peaks |
59 |
| SMILES |
C(CCCC(OCCC(C)C)=O)CC |
| SPLASH |
splash10-00dl-9100000000-1063f9bb500ab8a9e6b7 |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Wiley ID |
MVX001421 |
