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(3S,4S)-3-Pentyl-4-(1-p-tolyl-vinyl)-[1,2]diazetidine-1,2-dicarboxylic acid diethyl ester
SpectraBase Compound ID GfGsgQ65qXX
InChI InChI=1S/C22H32N2O4/c1-6-9-10-11-19-20(17(5)18-14-12-16(4)13-15-18)24(22(26)28-8-3)23(19)21(25)27-7-2/h12-15,19-20H,5-11H2,1-4H3/t19-,20-/m0/s1
InChIKey KIEYFGQUNKWXKZ-PMACEKPBSA-N
Mol Weight 388.5 g/mol
Molecular Formula C22H32N2O4
Exact Mass 388.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aqnvl3m7sO
Name (3S,4S)-3-Pentyl-4-(1-p-tolyl-vinyl)-[1,2]diazetidine-1,2-dicarboxylic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C22H32N2O4
InChI InChI=1S/C22H32N2O4/c1-6-9-10-11-19-20(17(5)18-14-12-16(4)13-15-18)24(22(26)28-8-3)23(19)21(25)27-7-2/h12-15,19-20H,5-11H2,1-4H3/t19-,20-/m0/s1
InChIKey KIEYFGQUNKWXKZ-PMACEKPBSA-N
Molecular Weight 388.508 g/mol
SMILES C(N1N([C@]([C@@]1(CCCCC)[H])(C(c1ccc(cc1)C)=C)[H])C(=O)OCC)(=O)OCC
SPLASH splash10-0006-0902000000-4173332a6ae84aa47fc7
Source of Spectrum F6-47-4582-3a
Synonyms Diethyl 3-pentyl-4-[1'-(p-tolyl)ethenyl]-1,2-diazetidine-1,2-dicarboxylate (3S,4S)-3-[1-(4-methylphenyl)ethenyl]-4-pentyldiazetidine-1,2-dicarboxylic acid diethyl ester diethyl (3S,4S)-3-[1-(4-methylphenyl)ethenyl]-4-pentyldiazetidine-1,2-dicarboxylate diethyl (3S,4S)-3-pentyl-4-[1-(p-tolyl)vinyl]diazetidine-1,2-dicarboxylate diethyl (3S,4S)-3-[1-(4-methylphenyl)ethenyl]-4-pentyl-1,2-diazetidine-1,2-dicarboxylate
Wiley ID 1713637