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(1S,2E,4E,7E,11E)-10-Oxocembra-2,4,7,11-tetraene

View entire compound with spectra: 1 FTIR

(1S,2E,4E,7E,11E)-10-Oxocembra-2,4,7,11-tetraene
SpectraBase Compound ID 1OZ8J4FNDs3
InChI InChI=1S/C20H30O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7-9,11,14-15,19H,6,10,12-13H2,1-5H3/b11-9+,16-7+,17-8+,18-14+
InChIKey MZTPSSNCTBEIEA-VQQNCSMOSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ztcy2Zsb2X
Name (1S,2E,4E,7E,11E)-10-Oxocembra-2,4,7,11-tetraene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.229665585 u
Formula C20H30O
InChI InChI=1S/C20H30O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7-9,11,14-15,19H,6,10,12-13H2,1-5H3/b11-9+,16-7+,17-8+,18-14+
InChIKey MZTPSSNCTBEIEA-VQQNCSMOSA-N
SMILES C1\C=C\(\C=C\C(CC\C(=C\C(C\C(=C\1)C)=O)C)C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841084