| SpectraBase Spectrum ID |
EILc31L7LSl |
| Name |
(2Z)-2-[1-(2-Mercaptoethylamino)ethylidene]-3,4-dihydronaphthalen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.103085344 u |
| Formula |
C14H17NOS |
| InChI |
InChI=1S/C14H17NOS/c1-10(15-8-9-17)12-7-6-11-4-2-3-5-13(11)14(12)16/h2-5,15,17H,6-9H2,1H3/b12-10- |
| InChIKey |
XFCXUGGCPBKPIW-BENRWUELSA-N |
| Molecular Weight |
247.356 g/mol |
| SMILES |
C1(\C(CCC=2C=CC=CC12)=C\(NCCS)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940323 |
![(2Z)-2-[1-(2-mercaptoethylamino)ethylidene]-3,4-dihydronaphthalen-1-one](/api/spectrum/EILc31L7LSl/structure.png?h=300&w=458 "(2Z)-2-[1-(2-mercaptoethylamino)ethylidene]-3,4-dihydronaphthalen-1-one")
