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6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, 2-[(4-methoxyphenyl)methyl]-, phenylmethyl ester, (1.alpha.,2.beta.,5.alpha.)-(.+-.)-
SpectraBase Compound ID 5ReRXFLX9Ql
InChI InChI=1S/C20H21NO4/c1-23-16-9-7-14(8-10-16)11-17-19-18(25-19)12-21(17)20(22)24-13-15-5-3-2-4-6-15/h2-10,17-19H,11-13H2,1H3/t17-,18-,19+/m1/s1
InChIKey ZDYRTBNTCOIZOK-QRVBRYPASA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uWsxsTRP2P
Name 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, 2-[(4-methoxyphenyl)methyl]-, phenylmethyl ester, (1.alpha.,2.beta.,5.alpha.)-(.+-.)-
Alternate Name(s) benzyl (1S,2R,5R)-2-(4-methoxybenzyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate N-((benzyloxy)carbonyl)-2.beta.-(p-methoxybenzyl)-3,4.beta.-oxidopyrrolidine
CAS Registry Number 82892-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-23-16-9-7-14(8-10-16)11-17-19-18(25-19)12-21(17)20(22)24-13-15-5-3-2-4-6-15/h2-10,17-19H,11-13H2,1H3/t17-,18-,19+/m1/s1
InChIKey ZDYRTBNTCOIZOK-QRVBRYPASA-N
Molecular Weight 339.391 g/mol
SMILES [C@@]12([C@](CN([C@@]2(Cc2ccc(cc2)OC)[H])C(OCc2ccccc2)=O)([H])O1)[H]
SPLASH splash10-006x-9610000000-23b654e59c8a87adb729
Source of Spectrum C-104-6079-0
Wiley ID 1334561