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Cholestan-16-ene

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

Cholestan-16-ene
SpectraBase Compound ID 4ASNhXequ1S
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h14,19-22,24-25H,6-13,15-18H2,1-5H3
InChIKey MOYQLPMOPRGPME-UHFFFAOYSA-N
Mol Weight 370.7 g/mol
Molecular Formula C27H46
Exact Mass 370.359951 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8zOCbrbIVxW
Name Cholestan-16-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.359951481 u
Formula C27H46
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h14,19-22,24-25H,6-13,15-18H2,1-5H3
InChIKey MOYQLPMOPRGPME-UHFFFAOYSA-N
Molecular Weight 370.665 g/mol
SMILES C1CCC2(C(C1)CCC1C2CCC2(C1CC=C2C(C)CCCC(C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910474