SpectraBase Spectrum ID |
I899MU2NAuZ |
Name |
Trans-(1S,2R)-1,2-dihydroxy-3-chlorocyclohexa-3,5-diene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
146.013457163 u |
Formula |
C6H7ClO2 |
InChI |
InChI=1S/C6H7ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6-/m0/s1 |
InChIKey |
CEKJBAXHIQWXBY-WDSKDSINSA-N |
Molecular Weight |
146.573 g/mol |
SMILES |
[C@]1(C(=CC=C[C@@]1(O)[H])Cl)(O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809432 |