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2-Propenamide, N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]-
SpectraBase Compound ID DM6W3TDnRKG
InChI InChI=1S/C21H26N2O7/c1-14(24)22-11-5-6-12-23(15(2)25)21(28)10-8-18-7-9-19(29-16(3)26)20(13-18)30-17(4)27/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,24)/b10-8+
InChIKey ZLTOYAQUCZNCJU-CSKARUKUSA-N
Mol Weight 418.45 g/mol
Molecular Formula C21H26N2O7
Exact Mass 418.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2otBz2QsNA1
Name 2-Propenamide, N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]-
CAS Registry Number 56818-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O7
InChI InChI=1S/C21H26N2O7/c1-14(24)22-11-5-6-12-23(15(2)25)21(28)10-8-18-7-9-19(29-16(3)26)20(13-18)30-17(4)27/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,24)/b10-8+
InChIKey ZLTOYAQUCZNCJU-CSKARUKUSA-N
Molecular Weight 418.446 g/mol
SMILES N(C(C)=O)CCCCN(C(C)=O)C(=O)\C=C\c1cc(OC(C)=O)c(OC(C)=O)cc1
SPLASH splash10-03e9-1930000000-5716bac92be9840272a0
Source of Spectrum EP-7548-0-0
Synonyms 4-((1E)-3-(Acetyl[4-(acetylamino)butyl]amino)-3-oxo-1-propenyl)-2-(acetyloxy)phenyl acetate Acetic acid [4-[(E)-3-[4-acetamidobutyl(acetyl)amino]-3-oxoprop-1-enyl]-2-acetyloxyphenyl] ester [4-[(E)-3-[4-acetamidobutyl(acetyl)amino]-3-oxoprop-1-enyl]-2-acetyloxyphenyl] acetate [4-[(E)-3-[4-acetamidobutyl(acetyl)amino]-3-oxo-prop-1-enyl]-2-acetoxy-phenyl] acetate [4-[(E)-3-[4-acetamidobutyl(ethanoyl)amino]-3-oxidanylidene-prop-1-enyl]-2-acetyloxy-phenyl] ethanoate
Wiley ID 1377099