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Trans-fagaramide

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

Trans-fagaramide
SpectraBase Compound ID CxKRVd7mcEC
InChI InChI=1S/C14H17NO3/c1-10(2)8-15-14(16)6-4-11-3-5-12-13(7-11)18-9-17-12/h3-7,10H,8-9H2,1-2H3,(H,15,16)/b6-4+
InChIKey WKWYNAMJWDRHBP-GQCTYLIASA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IocQn6UQ61i
Name Trans-fagaramide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.120843408 u
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-10(2)8-15-14(16)6-4-11-3-5-12-13(7-11)18-9-17-12/h3-7,10H,8-9H2,1-2H3,(H,15,16)/b6-4+
InChIKey WKWYNAMJWDRHBP-GQCTYLIASA-N
Molecular Weight 247.294 g/mol
SMILES C1=2OCOC2C=C(\C=C\C(=O)NCC(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973271