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Isoambreinolide

View entire compound with spectra: 1 FTIR

Isoambreinolide
SpectraBase Compound ID GK7QBiSeiPn
InChI InChI=1S/C17H28O2/c1-12-6-7-13-15(2,3)9-5-10-16(13,4)17(12)11-8-14(18)19-17/h12-13H,5-11H2,1-4H3
InChIKey AQNLWBUTGIPKLD-UHFFFAOYSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IjOUpRQBdrY
Name Isoambreinolide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.208930140 u
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-12-6-7-13-15(2,3)9-5-10-16(13,4)17(12)11-8-14(18)19-17/h12-13H,5-11H2,1-4H3
InChIKey AQNLWBUTGIPKLD-UHFFFAOYSA-N
Molecular Weight 264.409 g/mol
SMILES C12(OC(CC2)=O)C(CCC2C1(CCCC2(C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980211