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2-(Hydroxymethyl)-4,4-dimethyl-3-pentyl-1-cyclopent-2-enol

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

2-(Hydroxymethyl)-4,4-dimethyl-3-pentyl-1-cyclopent-2-enol
SpectraBase Compound ID F99RjkUN7FF
InChI InChI=1S/C13H24O2/c1-4-5-6-7-11-10(9-14)12(15)8-13(11,2)3/h12,14-15H,4-9H2,1-3H3
InChIKey ZXUMTZAEJWMAEH-UHFFFAOYSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FD80Bv0NQyE
Name 2-(Hydroxymethyl)-4,4-dimethyl-3-pentyl-1-cyclopent-2-enol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-4-5-6-7-11-10(9-14)12(15)8-13(11,2)3/h12,14-15H,4-9H2,1-3H3
InChIKey ZXUMTZAEJWMAEH-UHFFFAOYSA-N
Molecular Weight 212.333 g/mol
SMILES C1(=C(C(C)(C)CC1O)CCCCC)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86325