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N-p-Methylphenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-methylphenyl-.gamma.-butyrolactam
SpectraBase Compound ID 7T1kSAZRNIe
InChI InChI=1S/C21H21NO5/c1-12-4-8-14(9-5-12)18-16(21(26)27-3)17(20(24)25)19(23)22(18)15-10-6-13(2)7-11-15/h4-11,16-18H,1-3H3,(H,24,25)/t16-,17-,18+/m0/s1
InChIKey ADJZJLOWHSYQEI-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 8t9oNdTYBjQ
Name N-p-Methylphenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-methylphenyl-.gamma.-butyrolactam
Alternate Name(s) (3S,4S,5S)-4-(methoxycarbonyl)-2-oxo-1,5-di-p-tolylpyrrolidine-3-carboxylic acid (3S,4S,5S)-4-methoxycarbonyl-1,5-bis(4-methylphenyl)-2-oxo-3-pyrrolidinecarboxylic acid (3S,4S,5S)-4-methoxycarbonyl-1,5-bis(4-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid (3S,4S,5S)-4-methoxycarbonyl-2-oxo-1,5-bis(p-tolyl)pyrrolidine-3-carboxylic acid (3S,4S,5S)-4-methoxycarbonyl-1,5-bis(4-methylphenyl)-2-oxidanylidene-pyrrolidine-3-carboxylic acid
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Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-12-4-8-14(9-5-12)18-16(21(26)27-3)17(20(24)25)19(23)22(18)15-10-6-13(2)7-11-15/h4-11,16-18H,1-3H3,(H,24,25)/t16-,17-,18+/m0/s1
InChIKey ADJZJLOWHSYQEI-OKZBNKHCSA-N
Literature Reference DOI 10.1002/cjoc.20010190919
Molecular Weight 367.401 g/mol
SMILES OC([C@]1([C@@]([C@](N(c2ccc(cc2)C)C1=O)(c1ccc(cc1)C)[H])(C(OC)=O)[H])[H])=O
SPLASH splash10-0c00-2093000000-dcc773e08980b471570c
Source of Spectrum CJC-19-903-3a
Wiley ID 1773614