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5-(benzoloxycarbonyl)-5'-[2-cyno-2-(methoxycarbonyl)vinyl]-3,3'-diethyl-4,4'-dimethyl-2,2'-dipyrromethane
SpectraBase Compound ID 8W0pIE60wR9
InChI InChI=1S/C28H31N3O4/c1-6-21-17(3)23(13-20(15-29)27(32)34-5)30-24(21)14-25-22(7-2)18(4)26(31-25)28(33)35-16-19-11-9-8-10-12-19/h8-13,30-31H,6-7,14,16H2,1-5H3/b20-13+
InChIKey ONVIRGCHOPZQHK-DEDYPNTBSA-N
Mol Weight 473.57 g/mol
Molecular Formula C28H31N3O4
Exact Mass 473.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hCouCf7H5G
Name 5-(benzoloxycarbonyl)-5'-[2-cyno-2-(methoxycarbonyl)vinyl]-3,3'-diethyl-4,4'-dimethyl-2,2'-dipyrromethane
Alternate Name(s) benzyl 5-({5-[(1E)-2-cyano-3-methoxy-3-oxo-1-propenyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl}methyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 97336-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N3O4
InChI InChI=1S/C28H31N3O4/c1-6-21-17(3)23(13-20(15-29)27(32)34-5)30-24(21)14-25-22(7-2)18(4)26(31-25)28(33)35-16-19-11-9-8-10-12-19/h8-13,30-31H,6-7,14,16H2,1-5H3/b20-13+
InChIKey ONVIRGCHOPZQHK-DEDYPNTBSA-N
Molecular Weight 473.573 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c([nH]1)\C=C\(C(=O)OC)C#N)C)CC)CC)C)C(OCc1ccccc1)=O
SPLASH splash10-00di-4027900000-0dca59824ac8cfe2250b
Source of Spectrum J-50-3837-24
Wiley ID 1393657