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N-o-Methylphenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-methylphenyl-.gamma.-butyrolactam
SpectraBase Compound ID BfNMz0fuTNx
InChI InChI=1S/C21H21NO5/c1-12-8-10-14(11-9-12)18-16(21(26)27-3)17(20(24)25)19(23)22(18)15-7-5-4-6-13(15)2/h4-11,16-18H,1-3H3,(H,24,25)/t16-,17-,18+/m0/s1
InChIKey NFJBGUSALHTBBX-OKZBNKHCSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqXFJp29gr7
Name N-o-Methylphenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-methylphenyl-.gamma.-butyrolactam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-12-8-10-14(11-9-12)18-16(21(26)27-3)17(20(24)25)19(23)22(18)15-7-5-4-6-13(15)2/h4-11,16-18H,1-3H3,(H,24,25)/t16-,17-,18+/m0/s1
InChIKey NFJBGUSALHTBBX-OKZBNKHCSA-N
Literature Reference DOI 10.1002/cjoc.20010190919
Molecular Weight 367.401 g/mol
SMILES OC([C@]1([C@@]([C@](N(c2c(cccc2)C)C1=O)(c1ccc(cc1)C)[H])(C(OC)=O)[H])[H])=O
SPLASH splash10-08ml-2092000000-dbe50c37d139b81acf33
Source of Spectrum CJC-19-905-3n
Synonyms (3S,4S,5S)-4-(methoxycarbonyl)-2-oxo-1-(o-tolyl)-5-(p-tolyl)pyrrolidine-3-carboxylic acid
Wiley ID 1773622