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10-Hydroxymethylverticillene

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

10-Hydroxymethylverticillene
SpectraBase Compound ID 1DRzOV8EOwT
InChI InChI=1S/C21H34O/c1-15-7-6-8-16(2)13-18(14-22)20-17(3)10-12-19(11-9-15)21(20,4)5/h8-9,18-19,22H,6-7,10-14H2,1-5H3/b15-9+,16-8+/t18-,19+/m1/s1
InChIKey PLDRFOGTLWQOJG-IPUAHWMISA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID z3mumm6MMe
Name 10-Hydroxymethylverticillene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.260965714 u
Formula C21H34O
InChI InChI=1S/C21H34O/c1-15-7-6-8-16(2)13-18(14-22)20-17(3)10-12-19(11-9-15)21(20,4)5/h8-9,18-19,22H,6-7,10-14H2,1-5H3/b15-9+,16-8+/t18-,19+/m1/s1
InChIKey PLDRFOGTLWQOJG-IPUAHWMISA-N
SMILES C=12C([C@@](C\C=C/(C)CC\C=C\(C[C@@]2(CO)[H])C)(CCC1C)[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955449