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Isoobtusilactone-A

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

Isoobtusilactone-A
SpectraBase Compound ID 63gNiMwaWFB
InChI InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15+/t18-/m1/s1
InChIKey FCLYKYQBTSMTJB-WBWKYDSYSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KcSFg7Hcemn
Name Isoobtusilactone-A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.235144887 u
Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15+/t18-/m1/s1
InChIKey FCLYKYQBTSMTJB-WBWKYDSYSA-N
Molecular Weight 308.462 g/mol
SMILES C1(OC([C@](\C1=C\CCCCCCCCCCCCC)(O)[H])=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830227