| SpectraBase Spectrum ID |
4bO9QKDjhBI |
| Name |
(2E)-1-O-Acetyl-3,6-dimethyl-6-formyl-2-hepten-1-ol |
| Alternate Name(s) |
(2E)-3,6,6-trimethyl-7-oxo-2-heptenyl 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/c1-10(6-8-15-11(2)14)5-7-12(3,4)9-13/h6,9H,5,7-8H2,1-4H3/b10-6+ |
| InChIKey |
SCHDOEQUNHFFBZ-UXBLZVDNSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
C(=O)(OC\C=C\(CCC(C=O)(C)C)C)C |
| SPLASH |
splash10-00di-9100000000-bdf5c8c3485573eca24e |
| Source of Spectrum |
E1-39-1304-8 |
| Wiley ID |
1518868 |
