| SpectraBase Spectrum ID |
1NKmaYD7h1t |
| Name |
Methyl (E)-7-nitro-2,7-octadienoate |
| Alternate Name(s) |
methyl (2E)-7-nitro-2,7-octadienoate
methyl (2E)-7-nitroocta-2,7-dienoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H13NO4 |
| InChI |
InChI=1S/C9H13NO4/c1-8(10(12)13)6-4-3-5-7-9(11)14-2/h5,7H,1,3-4,6H2,2H3/b7-5+ |
| InChIKey |
NRFDAWDBOOMBOE-FNORWQNLSA-N |
| Molecular Weight |
199.206 g/mol |
| SMILES |
C(N(=O)=O)(=C)CCC\C=C\C(=O)OC |
| SPLASH |
splash10-0006-9300000000-9f86ff605b56ca148165 |
| Source of Spectrum |
J-63-1614-1 |
| Wiley ID |
1196581 |
