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(+)-2-Isobutylapopinene

View entire compound with spectra: 1 FTIR

(+)-2-Isobutylapopinene
SpectraBase Compound ID EI68zNWkBPz
InChI InChI=1S/C13H22/c1-9(2)7-10-5-6-11-8-12(10)13(11,3)4/h5-6,9-12H,7-8H2,1-4H3/t10?,11-,12-/m1/s1
InChIKey XLCFKAVKJHGHHP-PQDIPPBSSA-N
Mol Weight 178.32 g/mol
Molecular Formula C13H22
Exact Mass 178.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Ch63kc28cJ
Name (+)-2-isobutylapopinene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.172150708 u
Formula C13H22
InChI InChI=1S/C13H22/c1-9(2)7-10-5-6-11-8-12(10)13(11,3)4/h5-6,9-12H,7-8H2,1-4H3/t10?,11-,12-/m1/s1
InChIKey XLCFKAVKJHGHHP-PQDIPPBSSA-N
Molecular Weight 178.319 g/mol
SMILES [C@@]12(C(C)(C)[C@@](C2)(C=CC1CC(C)C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976392