| SpectraBase Spectrum ID |
HdtCVT8LWxP |
| Name |
2H-Naphtho[1,2-B]thiopyran-3-carbonitrile, 4-(4-chlorophenyl)-3,4,5,6-tetrahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.069198393 u |
| Formula |
C20H16ClNS |
| InChI |
InChI=1S/C20H16ClNS/c21-16-8-5-14(6-9-16)19-15(11-22)12-23-20-17-4-2-1-3-13(17)7-10-18(19)20/h1-6,8-9,15,19H,7,10,12H2 |
| InChIKey |
IJHJYMOCVOVFQB-UHFFFAOYSA-N |
| Molecular Weight |
337.868 g/mol |
| SMILES |
C12=C(SCC(C2C=2C=CC(=CC2)Cl)C#N)C2=CC=CC=C2CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876403 |
![2H-Naphtho[1,2-b]thiopyran-3-carbonitrile, 4-(4-chlorophenyl)-3,4,5,6-tetrahydro-](/api/spectrum/HdtCVT8LWxP/structure.png?h=300&w=458 "2H-Naphtho[1,2-b]thiopyran-3-carbonitrile, 4-(4-chlorophenyl)-3,4,5,6-tetrahydro-")
