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Subamolide_C;3-(1-methoxypentadecyl)-5-methylene-5-H-furan-2-one

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

Subamolide_C;3-(1-methoxypentadecyl)-5-methylene-5-H-furan-2-one
SpectraBase Compound ID GxTARIjbQoi
InChI InChI=1S/C21H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23-3)19-17-18(2)24-21(19)22/h17,20H,2,4-16H2,1,3H3
InChIKey MRQIXVNNGPNWED-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LThmHJ7YNk6
Name Subamolide_C;3-(1-methoxypentadecyl)-5-methylene-5-H-furan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.266445016 u
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23-3)19-17-18(2)24-21(19)22/h17,20H,2,4-16H2,1,3H3
InChIKey MRQIXVNNGPNWED-UHFFFAOYSA-N
Molecular Weight 336.516 g/mol
SMILES C1(OC(C=C1C(OC)CCCCCCCCCCCCCC)=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884759