| SpectraBase Spectrum ID |
BQjsPwOpSbm |
| Name |
(2E)-1-O-Acetyl-3,6-dimethyl-7-oxo-2-octen-1-ol |
| Alternate Name(s) |
(2E)-3,6-dimethyl-7-oxo-2-octenyl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-9(7-8-15-12(4)14)5-6-10(2)11(3)13/h7,10H,5-6,8H2,1-4H3/b9-7+ |
| InChIKey |
NGOLVLPUZZOHJO-VQHVLOKHSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
C(=O)(OC\C=C\(CCC(C(=O)C)C)C)C |
| SPLASH |
splash10-001i-9000000000-90211f1818c821083eaa |
| Source of Spectrum |
E1-39-1304-5 |
| Wiley ID |
1518871 |
