| SpectraBase Spectrum ID |
6fqZ7UjWamt |
| Name |
1-cyano-3-methoxy-4-methyl-1-(2,4-pentadienyl)-3-cyclopentene-2,5-dione |
| Alternate Name(s) |
3-methoxy-4-methyl-2,5-dioxo-1-[(2E)-2,4-pentadienyl]-3-cyclopentene-1-carbonitrile |
| CAS Registry Number |
109034-89-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO3 |
| InChI |
InChI=1S/C13H13NO3/c1-4-5-6-7-13(8-14)11(15)9(2)10(17-3)12(13)16/h4-6H,1,7H2,2-3H3/b6-5+ |
| InChIKey |
GQERBCMZKYGPFN-AATRIKPKSA-N |
| Molecular Weight |
231.251 g/mol |
| SMILES |
C1(C(C(C)=C(C1=O)OC)=O)(C#N)C\C=C\C=C |
| SPLASH |
splash10-0udi-0090000000-d935569b5d088b3538c9 |
| Source of Spectrum |
J-52-3966-10 |
| Wiley ID |
1232766 |
