SpectraBase Spectrum ID |
69PtPvZrJaM |
Name |
Trans-2-benzenesulfonyl-3-phenyl-1.2,3,4-tetrahydronaphthalen-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
364.113315675 u |
Formula |
C22H20O3S |
InChI |
InChI=1S/C22H20O3S/c23-21-19-14-8-7-11-17(19)15-20(16-9-3-1-4-10-16)22(21)26(24,25)18-12-5-2-6-13-18/h1-14,20-23H,15H2/t20-,21-,22+/m1/s1 |
InChIKey |
GNUIGQKRGFIRJO-VSKRKVRLSA-N |
Molecular Weight |
364.459 g/mol |
SMILES |
[C@@]1(S(=O)(=O)C=2C=CC=CC2)([C@](CC2=C([C@]1(O)[H])C=CC=C2)(C=1C=CC=CC1)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883857 |