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3-Methylthiodocosane

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

3-Methylthiodocosane
SpectraBase Compound ID EfC33qP4N9T
InChI InChI=1S/C23H48S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(5-2)24-3/h23H,4-22H2,1-3H3
InChIKey ZOGHNOWGBGAJKU-UHFFFAOYSA-N
Mol Weight 356.7 g/mol
Molecular Formula C23H48S
Exact Mass 356.347673 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 38RZIG47REX
Name 3-Methylthiodocosane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.347672720 u
Formula C23H48S
InChI InChI=1S/C23H48S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(5-2)24-3/h23H,4-22H2,1-3H3
InChIKey ZOGHNOWGBGAJKU-UHFFFAOYSA-N
Molecular Weight 356.697 g/mol
SMILES C(CCCCCCCCCCCCCCCCC)CC(CC)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945991