| SpectraBase Spectrum ID |
21DgP8b77XM |
| Name |
1,4-Methanonaphthalene, 2-chloro-1,2,3,4-tetrahydro-3-(phenylthio)-, (2R,3R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.058299357 u |
| Formula |
C17H15ClS |
| InChI |
InChI=1S/C17H15ClS/c18-16-14-10-15(13-9-5-4-8-12(13)14)17(16)19-11-6-2-1-3-7-11/h1-9,14-17H,10H2/t14-,15+,16+,17+/m1/s1 |
| InChIKey |
LYQVJZCCKYPWJI-QZWWFDLISA-N |
| SMILES |
[C@]1([C@@]2(C[C@]([C@@]1(SC1=CC=CC=C1)[H])(C1=C2C=CC=C1)[H])[H])(Cl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880156 |
