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Methyl 13-oxo-podocarp-8-en-18-oate

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

Methyl 13-oxo-podocarp-8-en-18-oate
SpectraBase Compound ID ChouSUN2AQi
InChI InChI=1S/C18H26O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h15H,4-11H2,1-3H3/t15?,17-,18+/m1/s1
InChIKey DFYNTFGZYKSWGX-KVJCIMDZSA-N
Mol Weight 290.4 g/mol
Molecular Formula C18H26O3
Exact Mass 290.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6tOFdIJQ0Zg
Name Methyl 13-oxo-podocarp-8-en-18-oate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.188194694 u
Formula C18H26O3
InChI InChI=1S/C18H26O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h15H,4-11H2,1-3H3/t15?,17-,18+/m1/s1
InChIKey DFYNTFGZYKSWGX-KVJCIMDZSA-N
Molecular Weight 290.403 g/mol
SMILES [C@]12(C3=C(CC(CC3)=O)CCC1[C@](C(=O)OC)(C)CCC2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878647