| SpectraBase Spectrum ID |
1tSAxDGoBo |
| Name |
5,5-Dimethyl-6-oxo-2(e)-hepten-1-ol nitrate |
| Alternate Name(s) |
(2E)-5,5-dimethyl-6-oxo-2-heptenyl nitrate |
| CAS Registry Number |
100431-97-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H15NO4 |
| InChI |
InChI=1S/C9H15NO4/c1-8(11)9(2,3)6-4-5-7-14-10(12)13/h4-5H,6-7H2,1-3H3/b5-4+ |
| InChIKey |
YAQWEFGDSOMAOJ-SNAWJCMRSA-N |
| Molecular Weight |
201.222 g/mol |
| SMILES |
C(ON(=O)=O)\C=C\CC(C(=O)C)(C)C |
| SPLASH |
splash10-052f-9200000000-da9efe883a4971af2075 |
| Source of Spectrum |
J-51-1648-8 |
| Wiley ID |
1198640 |
