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cis-3-(4-Methoxyphenyl)-2,2-dimethyl-1-phenylcyclopropanethiol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

cis-3-(4-Methoxyphenyl)-2,2-dimethyl-1-phenylcyclopropanethiol
SpectraBase Compound ID A3teiCpolcK
InChI InChI=1S/C18H20OS/c1-17(2)16(13-9-11-15(19-3)12-10-13)18(17,20)14-7-5-4-6-8-14/h4-12,16,20H,1-3H3/t16-,18-/m1/s1
InChIKey AKJLSSFXGZSVPN-SJLPKXTDSA-N
Mol Weight 284.42 g/mol
Molecular Formula C18H20OS
Exact Mass 284.123486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cf6UNZFvjXF
Name cis-3-(4-Methoxyphenyl)-2,2-dimethyl-1-phenylcyclopropanethiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.123486437 u
Formula C18H20OS
InChI InChI=1S/C18H20OS/c1-17(2)16(13-9-11-15(19-3)12-10-13)18(17,20)14-7-5-4-6-8-14/h4-12,16,20H,1-3H3/t16-,18-/m1/s1
InChIKey AKJLSSFXGZSVPN-SJLPKXTDSA-N
SMILES [C@@]1(C(C)(C)[C@]1(C=1C=CC(=CC1)OC)[H])(C1=CC=CC=C1)S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963317