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6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, 2-[(4-methylphenyl)methyl]-, phenylmethyl ester, (1.alpha.,2.beta.,5.alpha.)-(.+-.)-
SpectraBase Compound ID 3wrxNGDFhLK
InChI InChI=1S/C20H21NO3/c1-14-7-9-15(10-8-14)11-17-19-18(24-19)12-21(17)20(22)23-13-16-5-3-2-4-6-16/h2-10,17-19H,11-13H2,1H3/t17-,18-,19+/m1/s1
InChIKey MLQVZGGABKHWFR-QRVBRYPASA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1i8QyuV25w
Name 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, 2-[(4-methylphenyl)methyl]-, phenylmethyl ester, (1.alpha.,2.beta.,5.alpha.)-(.+-.)-
CAS Registry Number 82892-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-14-7-9-15(10-8-14)11-17-19-18(24-19)12-21(17)20(22)23-13-16-5-3-2-4-6-16/h2-10,17-19H,11-13H2,1H3/t17-,18-,19+/m1/s1
InChIKey MLQVZGGABKHWFR-QRVBRYPASA-N
Molecular Weight 323.392 g/mol
SMILES [C@@]12([C@](CN([C@@]2(Cc2ccc(cc2)C)[H])C(OCc2ccccc2)=O)([H])O1)[H]
SPLASH splash10-05tf-9850000000-c25eb374a0b7b5eeb555
Source of Spectrum C-104-6079-0
Synonyms benzyl (1S,2R,5R)-2-(4-methylbenzyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate N-((benzyloxy)carbonyl)-2.beta.-(p-methylbenzyl)-3,4.beta.-oxidopyrrolidine N-(benzyloxy)carbonyl)-2-(p-methoxybenzyl)-3-pyrroline
Wiley ID 1322572