| SpectraBase Spectrum ID |
4sE9Nqodd8I |
| Name |
4-acetamido-5-(phenylthio)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17NO3S |
| InChI |
InChI=1S/C16H17NO3S/c1-11(18)17-14-9-8-12(16(19)20-2)10-15(14)21-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18) |
| InChIKey |
INXVAYWTDLGWPY-UHFFFAOYSA-N |
| Molecular Weight |
303.376 g/mol |
| SMILES |
N(C1=C(CC(C(=O)OC)=CC1)Sc1ccccc1)C(=O)C |
| SPLASH |
splash10-0006-0900000000-de5e26bd9b658dd20ebc |
| Source of Spectrum |
KC-0-1694-6 |
| Synonyms |
4-acetamido-5-(phenylthio)cyclohexa-1,4-diene-1-carboxylic acid methyl ester
methyl 4-acetamido-5-phenylsulfanyl-cyclohexa-1,4-diene-1-carboxylate |
| Wiley ID |
822698 |
