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2-[(1R)-4-methyl-1-cyclohex-3-enyl]-2-propanethiol

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

2-[(1R)-4-methyl-1-cyclohex-3-enyl]-2-propanethiol
SpectraBase Compound ID 1SLRknv28gc
InChI InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
InChIKey ZQPCOAKGRYBBMR-VIFPVBQESA-N
Mol Weight 170.31 g/mol
Molecular Formula C10H18S
Exact Mass 170.112922 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6CtfPEuBNUZ
Name 2-[(1R)-4-Methyl-1-cyclohex-3-enyl]-2-propanethiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.112921754 u
Formula C10H18S
InChI InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
InChIKey ZQPCOAKGRYBBMR-VIFPVBQESA-N
Molecular Weight 170.314 g/mol
SMILES C([C@]1(CC=C(CC1)C)[H])(S)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944047