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N-[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamic acid tert-butyl ester
SpectraBase Compound ID AxPZoGVj7ab
InChI InChI=1S/C22H26Cl2N2O2/c1-22(2,3)28-21(27)25-20-14-26(12-15-7-5-4-6-8-15)13-17(20)16-9-10-18(23)19(24)11-16/h4-11,17,20H,12-14H2,1-3H3,(H,25,27)/t17-,20+/m1/s1
InChIKey DOOSTEAVZWRRGL-XLIONFOSSA-N
Mol Weight 421.37 g/mol
Molecular Formula C22H26Cl2N2O2
Exact Mass 420.137133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQ9D9aicnfg
Name N-[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamic acid tert-butyl ester
Alternate Name(s) N-[(3R,4S)-4-(3,4-dichlorophenyl)-1-(phenylmethyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester tert-Butyl N-[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamate tert-Butyl N-[(3R,4S)-4-(3,4-dichlorophenyl)-1-(phenylmethyl)pyrrolidin-3-yl]carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26Cl2N2O2
InChI InChI=1S/C22H26Cl2N2O2/c1-22(2,3)28-21(27)25-20-14-26(12-15-7-5-4-6-8-15)13-17(20)16-9-10-18(23)19(24)11-16/h4-11,17,20H,12-14H2,1-3H3,(H,25,27)/t17-,20+/m1/s1
InChIKey DOOSTEAVZWRRGL-XLIONFOSSA-N
Molecular Weight 421.368 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]1([C@@](c2cc(Cl)c(cc2)Cl)(CN(Cc2ccccc2)C1)[H])[H]
SPLASH splash10-0f6x-9105000000-f2d5ef5ff99763267159
Source of Spectrum E1-36-4146-21
Wiley ID 1574836