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2-Hydroxymethyl-3,3-dimethyl-4-(pentanoylmethyl)cyclopent-1-ene

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

2-Hydroxymethyl-3,3-dimethyl-4-(pentanoylmethyl)cyclopent-1-ene
SpectraBase Compound ID 4J0ETehuAMG
InChI InChI=1S/C14H24O2/c1-4-5-6-13(16)9-11-7-8-12(10-15)14(11,2)3/h8,11,15H,4-7,9-10H2,1-3H3
InChIKey JNZRGWATPJWMPX-UHFFFAOYSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9G3gHcaYtpt
Name 2-Hydroxymethyl-3,3-dimethyl-4-(pentanoylmethyl)cyclopent-1-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.177630011 u
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-4-5-6-13(16)9-11-7-8-12(10-15)14(11,2)3/h8,11,15H,4-7,9-10H2,1-3H3
InChIKey JNZRGWATPJWMPX-UHFFFAOYSA-N
Molecular Weight 224.344 g/mol
SMILES C1(C(=CCC1CC(=O)CCCC)CO)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880529