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Diethyl 2-(1-benzyl-trans-4-(1-chlorovinyl)-2-oxopyrrolidin-3-yl)malonate
SpectraBase Compound ID 3DmXU0x3mYT
InChI InChI=1S/C20H24ClNO5/c1-4-26-19(24)17(20(25)27-5-2)16-15(13(3)21)12-22(18(16)23)11-14-9-7-6-8-10-14/h6-10,15-17H,3-5,11-12H2,1-2H3/t15-,16+/m0/s1
InChIKey IXJDNYWXFBHWQD-JKSUJKDBSA-N
Mol Weight 393.87 g/mol
Molecular Formula C20H24ClNO5
Exact Mass 393.134301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Vbc1JOXyQZ
Name Diethyl 2-(1-benzyl-trans-4-(1-chlorovinyl)-2-oxopyrrolidin-3-yl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24ClNO5
InChI InChI=1S/C20H24ClNO5/c1-4-26-19(24)17(20(25)27-5-2)16-15(13(3)21)12-22(18(16)23)11-14-9-7-6-8-10-14/h6-10,15-17H,3-5,11-12H2,1-2H3/t15-,16+/m0/s1
InChIKey IXJDNYWXFBHWQD-JKSUJKDBSA-N
Literature Reference DOI 10.1039/c4ob00233d
Molecular Weight 393.867 g/mol
SMILES [C@@]1(C(=C)Cl)([H])CN(C(=O)[C@]1(C(C(=O)OCC)C(OCC)=O)[H])Cc1ccccc1
SPLASH splash10-0006-9043000000-b25bcf08f26ea7225161
Source of Spectrum F5-12-3971-12a
Synonyms Diethyl 2-((3S,4S)-1-benzyl-4-(1-chlorovinyl)-2-oxopyrrolidin-3-yl)malonate
Wiley ID 1747468