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(E)-15,16-Dinorlabda-8(17),12-dien-14-al

View entire compound with spectra: 1 NMR, and 1 FTIR

(E)-15,16-Dinorlabda-8(17),12-dien-14-al
SpectraBase Compound ID 3mQxCOKIwYE
InChI InChI=1S/C18H28O/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h5-6,13,15-16H,1,7-12H2,2-4H3/b6-5+
InChIKey UMOQQBYJZPZYPC-AATRIKPKSA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lvs45e1xW5F
Name (E)-15,16-Dinorlabda-8(17),12-dien-14-al
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.214015521 u
Formula C18H28O
InChI InChI=1S/C18H28O/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h5-6,13,15-16H,1,7-12H2,2-4H3/b6-5+
InChIKey UMOQQBYJZPZYPC-AATRIKPKSA-N
Molecular Weight 260.421 g/mol
SMILES C(\C=C\CC1C(CCC2C1(CCCC2(C)C)C)=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959747