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Methyl(1R*,7S*,7as*)-2,3,5,6,7,7a-hexahydro-4-(4''-nitrophenyl)-1-(2',2',2'-trichloromethylcarbonylamino)-indene-7-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl(1R*,7S*,7as*)-2,3,5,6,7,7a-hexahydro-4-(4''-nitrophenyl)-1-(2',2',2'-trichloromethylcarbonylamino)-indene-7-carboxylate
SpectraBase Compound ID 4ez3uS7qeve
InChI InChI=1S/C19H19Cl3N2O5/c1-29-17(25)14-7-6-12(10-2-4-11(5-3-10)24(27)28)13-8-9-15(16(13)14)23-18(26)19(20,21)22/h2-5,14-16H,6-9H2,1H3,(H,23,26)/t14-,15+,16+/m0/s1
InChIKey ZPTOUOQJEHNQGL-ARFHVFGLSA-N
Mol Weight 461.73 g/mol
Molecular Formula C19H19Cl3N2O5
Exact Mass 460.035955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bmmx3Bdwr1z
Name Methyl(1R*,7S*,7as*)-2,3,5,6,7,7a-hexahydro-4-(4''-nitrophenyl)-1-(2',2',2'-trichloromethylcarbonylamino)-indene-7-carboxylate
Alternate Name(s) Methyl (3R,3aS,4S)-7-(4-nitrophenyl)-3-(2,2,2-trichloroacetamido)-2,3,3a,4,5,6-hexahydro-1H-indene-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19Cl3N2O5
InChI InChI=1S/C19H19Cl3N2O5/c1-29-17(25)14-7-6-12(10-2-4-11(5-3-10)24(27)28)13-8-9-15(16(13)14)23-18(26)19(20,21)22/h2-5,14-16H,6-9H2,1H3,(H,23,26)/t14-,15+,16+/m0/s1
InChIKey ZPTOUOQJEHNQGL-ARFHVFGLSA-N
Molecular Weight 461.729 g/mol
SMILES N([C@]1([C@@]2(C(=C(CC[C@@]2(C(OC)=O)[H])c2ccc(cc2)[N+]([O-])=O)CC1)[H])[H])C(C(Cl)(Cl)Cl)=O
SPLASH splash10-0005-0190000000-983624a2aefd61bae9ab
Source of Spectrum F5-14-3294-33
Wiley ID 1804690