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Budmunchiamine K

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

Budmunchiamine K
SpectraBase Compound ID 1h5N5aZKebW
InChI InChI=1S/C31H64N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-29-31(36)32-23-20-26-33(2)24-18-19-25-34(3)27-21-28-35(30)4/h30H,5-29H2,1-4H3,(H,32,36)
InChIKey GSMYBFYZGNCTTL-UHFFFAOYSA-N
Mol Weight 508.9 g/mol
Molecular Formula C31H64N4O
Exact Mass 508.508013 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7MELEABKIxM
Name Budmunchiamine-K
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.508012696 u
Formula C31H64N4O
InChI InChI=1S/C31H64N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-29-31(36)32-23-20-26-33(2)24-18-19-25-34(3)27-21-28-35(30)4/h30H,5-29H2,1-4H3,(H,32,36)
InChIKey GSMYBFYZGNCTTL-UHFFFAOYSA-N
Molecular Weight 508.880 g/mol
SMILES C1(N(CCCN(CCCCN(CCCNC(C1)=O)C)C)C)CCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878276