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4-Cholesten-3-thiol

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Cholesten-3-thiol
SpectraBase Compound ID I96S5HKbgEU
InChI InChI=1S/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25,28H,6-16H2,1-5H3
InChIKey FAODDNXUWZRRDC-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46S
Exact Mass 402.332023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 33CQsix145S
Name 4-Cholesten-3-thiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.332022655 u
Formula C27H46S
InChI InChI=1S/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25,28H,6-16H2,1-5H3
InChIKey FAODDNXUWZRRDC-UHFFFAOYSA-N
Molecular Weight 402.725 g/mol
SMILES C1(CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C)C)S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912293