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1-Heptadec-1-ynyl-cyclopentanol

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

1-Heptadec-1-ynyl-cyclopentanol
SpectraBase Compound ID CMRXA7zpstA
InChI InChI=1S/C22H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(23)20-17-18-21-22/h23H,2-15,17-18,20-21H2,1H3
InChIKey RCKOMRRQVWFQGE-UHFFFAOYSA-N
Mol Weight 320.6 g/mol
Molecular Formula C22H40O
Exact Mass 320.307916 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GXIBDHmM0cy
Name 1-Heptadec-1-ynyl-cyclopentanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.307915907 u
Formula C22H40O
InChI InChI=1S/C22H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(23)20-17-18-21-22/h23H,2-15,17-18,20-21H2,1H3
InChIKey RCKOMRRQVWFQGE-UHFFFAOYSA-N
Molecular Weight 320.561 g/mol
SMILES C(#CCCCCCCCCCCCCCCC)C1(O)CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835134