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Himbacine

View entire compound with spectra: 1 FTIR

Himbacine
SpectraBase Compound ID JNoc2uTfX4g
InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+
InChIKey FMPNFDSPHNUFOS-VAWYXSNFSA-N
Mol Weight 345.5 g/mol
Molecular Formula C22H35NO2
Exact Mass 345.266779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1YJoyukuRqW
Name Himbacine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.266779369 u
Formula C22H35NO2
InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+
InChIKey FMPNFDSPHNUFOS-VAWYXSNFSA-N
Molecular Weight 345.527 g/mol
SMILES C1CCC2C(C1)CC1C(C2\C=C\C2CCCC(N2C)C)C(C)OC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961169