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1-Heptanethiol

View entire compound with spectra: 4 NMR, 7 FTIR, 1 Raman, and 8 MS (GC)

1-Heptanethiol
SpectraBase Compound ID 6JjXHoCy35D
InChI InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey VPIAKHNXCOTPAY-UHFFFAOYSA-N
Mol Weight 132.26 g/mol
Molecular Formula C7H16S
Exact Mass 132.097272 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ih5q9BbXJAR
Name 1-Heptanethiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number H4506
CAS Registry Number 1639-09-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16S
InChI InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey VPIAKHNXCOTPAY-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Heptyl mercaptan; Mercaptan C7
Wiley ID SIAL_13CNMR_012062