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1,5-di(antipyrin-4-ylamino)-5-(3,4-methylenedioxyphenyl)pentan-3-one
SpectraBase Compound ID 8RSF5icpbfi
InChI InChI=1S/C34H36N6O5/c1-22-31(33(42)39(37(22)3)25-11-7-5-8-12-25)35-18-17-27(41)20-28(24-15-16-29-30(19-24)45-21-44-29)36-32-23(2)38(4)40(34(32)43)26-13-9-6-10-14-26/h5-16,19,28,35-36H,17-18,20-21H2,1-4H3
InChIKey QVKPMEIHRYSHSZ-UHFFFAOYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C34H36N6O5
Exact Mass 608.274718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A34awTpyIBm
Name 1,5-di(antipyrin-4-ylamino)-5-(3,4-methylenedioxyphenyl)pentan-3-one
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36N6O5
InChI InChI=1S/C34H36N6O5/c1-22-31(33(42)39(37(22)3)25-11-7-5-8-12-25)35-18-17-27(41)20-28(24-15-16-29-30(19-24)45-21-44-29)36-32-23(2)38(4)40(34(32)43)26-13-9-6-10-14-26/h5-16,19,28,35-36H,17-18,20-21H2,1-4H3
InChIKey QVKPMEIHRYSHSZ-UHFFFAOYSA-N
Instrument Name GC-MS QP-1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3055
Molecular Weight 608.699 g/mol
SMILES N(C(CC(CCNC=1C(N(N(C1C)C)c1ccccc1)=O)=O)c1cc2c(cc1)OCO2)C=1C(N(N(C1C)C)c1ccccc1)=O
SPLASH splash10-0a4i-9301000000-b58595c24c42b894fc47
Source of Spectrum Y-55-331-12
Wiley ID 1878802