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Iromycin A, 2me derivative

View entire compound with spectra: 1 FTIR

Iromycin A, 2me derivative
SpectraBase Compound ID E5TUc7a2n56
InChI InChI=1S/C21H33NO2/c1-8-10-18-19(14-13-16(4)12-9-11-15(2)3)22(6)21(23)17(5)20(18)24-7/h9,11,13,15H,8,10,12,14H2,1-7H3/b11-9+,16-13+
InChIKey IUNAEGGOUJDWTI-BNUVGFPPSA-N
Mol Weight 331.5 g/mol
Molecular Formula C21H33NO2
Exact Mass 331.251129 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 10p4LO1pg9i
Name Iromycin A, 2me derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.251129305 u
Formula C21H33NO2
InChI InChI=1S/C21H33NO2/c1-8-10-18-19(14-13-16(4)12-9-11-15(2)3)22(6)21(23)17(5)20(18)24-7/h9,11,13,15H,8,10,12,14H2,1-7H3/b11-9+,16-13+
InChIKey IUNAEGGOUJDWTI-BNUVGFPPSA-N
Molecular Weight 331.500 g/mol
SMILES C1(C(=C(C(=C(N1C)C\C=C\(C\C=C\C(C)C)C)CCC)OC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968035