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3,7-Cadinadiene

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

3,7-Cadinadiene
SpectraBase Compound ID 74HDDqCcpJX
InChI InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,12,14-15H,6-9H2,1-4H3/t12-,14+,15+/m1/s1
InChIKey WITIFFHNXQFUMF-SNPRPXQTSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5n1xuMMGonF
Name 3,7-Cadinadiene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.187800773 u
Formula C15H24
InChI InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,12,14-15H,6-9H2,1-4H3/t12-,14+,15+/m1/s1
InChIKey WITIFFHNXQFUMF-SNPRPXQTSA-N
Molecular Weight 204.357 g/mol
SMILES [C@]12(C(CC[C@]([C@@]2(CC=C(C1)C)[H])(C)[H])=C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875127