| SpectraBase Spectrum ID |
LUBOEcQStDv |
| Name |
(E)-3-amino-3-(butylthio)-2-cyano-2-propenoic acid methyl ester |
| Alternate Name(s) |
(E)-3-amino-3-(butylthio)-2-cyano-acrylic acid methyl ester
methyl (E)-3-amino-3-butylsulfanyl-2-cyano-prop-2-enoate
methyl (E)-3-azanyl-3-butylsulfanyl-2-cyano-prop-2-enoate |
| CAS Registry Number |
114907-84-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14N2O2S |
| InChI |
InChI=1S/C9H14N2O2S/c1-3-4-5-14-8(11)7(6-10)9(12)13-2/h3-5,11H2,1-2H3/b8-7+ |
| InChIKey |
HQINFNQARLMACZ-BQYQJAHWSA-N |
| Molecular Weight |
214.283 g/mol |
| SMILES |
N\C(=C/(C(=O)OC)C#N)SCCCC |
| SPLASH |
splash10-0a4i-0940000000-a9c7eb4c0581f3239812 |
| Source of Spectrum |
K-121-1820-3 |
| Wiley ID |
1213107 |
