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Abieta-8,13(15)-diene

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

Abieta-8,13(15)-diene
SpectraBase Compound ID 1vHOTtqFvBl
InChI InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h18H,6-13H2,1-5H3/t18-,20+/m0/s1
InChIKey XVRKAXNTAQLILL-AZUAARDMSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 530SEgJmR0A
Name Abieta-8,13(15)-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.250401030 u
Formula C20H32
InChI InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h18H,6-13H2,1-5H3/t18-,20+/m0/s1
InChIKey XVRKAXNTAQLILL-AZUAARDMSA-N
Molecular Weight 272.476 g/mol
SMILES [C@]12([H])[C@@](C3=C(CC(CC3)=C(C)C)CC1)(CCCC2(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932003