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Himanimide A

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

Himanimide A
SpectraBase Compound ID 3LCDz5IJ76k
InChI InChI=1S/C22H21NO3/c1-15(2)12-13-26-18-10-8-17(9-11-18)20-19(21(24)23-22(20)25)14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,24,25)
InChIKey MTTHLOLASDKITP-UHFFFAOYSA-N
Mol Weight 347.41 g/mol
Molecular Formula C22H21NO3
Exact Mass 347.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5L3HDqfoRSZ
Name Himanimide A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.152143537 u
Formula C22H21NO3
InChI InChI=1S/C22H21NO3/c1-15(2)12-13-26-18-10-8-17(9-11-18)20-19(21(24)23-22(20)25)14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,24,25)
InChIKey MTTHLOLASDKITP-UHFFFAOYSA-N
Molecular Weight 347.414 g/mol
SMILES C1=C(OCC=C(C)C)C=CC(C2=C(C(NC2=O)=O)CC2=CC=CC=C2)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839942