| SpectraBase Spectrum ID |
Y9NS8aPd2k |
| Name |
Dimethyl 4-acetamido-5-phenylthiocyclohexa-1,4-diene-1,2-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19NO5S |
| InChI |
InChI=1S/C18H19NO5S/c1-11(20)19-15-9-13(17(21)23-2)14(18(22)24-3)10-16(15)25-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20) |
| InChIKey |
ZLIHWLWILKCSHO-UHFFFAOYSA-N |
| Molecular Weight |
361.412 g/mol |
| SMILES |
N(C1=C(CC(=C(C1)C(=O)OC)C(=O)OC)Sc1ccccc1)C(=O)C |
| SPLASH |
splash10-00di-0091000000-bfb766b5f82ef211de76 |
| Source of Spectrum |
KC-0-1694-5 |
| Synonyms |
dimethyl 4-(acetylamino)-5-(phenylsulfanyl)-1,4-cyclohexadiene-1,2-dicarboxylate
dimethyl 4-acetamido-5-phenylsulfanylcyclohexa-1,4-diene-1,2-dicarboxylate
dimethyl 4-acetamido-5-phenylsulfanyl-cyclohexa-1,4-diene-1,2-dicarboxylate |
| Wiley ID |
822699 |
