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Ethyl 1-cyclopropyl-1-{(4-methoxyphenyl)amino}-2,3-dihydro-1H-indene-2-carboxylate
SpectraBase Compound ID EXqDcXEUlc1
InChI InChI=1S/C22H25NO3/c1-3-26-21(24)20-14-15-6-4-5-7-19(15)22(20,16-8-9-16)23-17-10-12-18(25-2)13-11-17/h4-7,10-13,16,20,23H,3,8-9,14H2,1-2H3/t20-,22-/m0/s1
InChIKey PKCOEUDOLPOFHC-UNMCSNQZSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TNiZ3pkr5r
Name Ethyl 1-cyclopropyl-1-{(4-methoxyphenyl)amino}-2,3-dihydro-1H-indene-2-carboxylate
Alternate Name(s) (1R,2R)-ethyl 1-cyclopropyl-1-((4-methoxyphenyl)amino)-2,3-dihydro-1H-indene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-3-26-21(24)20-14-15-6-4-5-7-19(15)22(20,16-8-9-16)23-17-10-12-18(25-2)13-11-17/h4-7,10-13,16,20,23H,3,8-9,14H2,1-2H3/t20-,22-/m0/s1
InChIKey PKCOEUDOLPOFHC-UNMCSNQZSA-N
Literature Reference DOI 10.1002/anie.201411808
Molecular Weight 351.446 g/mol
SMILES N([C@]1(C2CC2)[C@@](Cc2c1cccc2)(C(OCC)=O)[H])c1ccc(cc1)OC
SPLASH splash10-0a4i-0910000000-7a6b49f91bf177dfd661
Source of Spectrum ACI-54-4092/SMS12-3ia
Wiley ID 1760507