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14-Hydroxycaryophyllene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

14-Hydroxycaryophyllene
SpectraBase Compound ID F6Gr4T0raru
InChI InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+
InChIKey MGIQTXDHQJGPEZ-WUXMJOGZSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LscXqQ2YZiC
Name 14-Hydroxycaryophyllene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.182715392 u
Formula C15H24O
InChI InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+
InChIKey MGIQTXDHQJGPEZ-WUXMJOGZSA-N
Molecular Weight 220.356 g/mol
SMILES CC1(C)C2C(C(=C)CC\C=C\(CO)CC2)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880608