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#16;TERT.-BUTYL-6-[[(E)-1,1-DICHLORO-4-[(4-ETHOXYPHENYL)-AMINO]-3-NITRO-4-(1H-1,2,4-TRIAZOL-1-YL)-BUTA-1,3-DIEN-2-YL]-AMINO]-3-AZA-BICYCLO-[3.1.0]-HEXANE-3-CAR

View entire compound with spectra: 1 NMR, and 1 MS (GC)

#16;TERT.-BUTYL-6-[[(E)-1,1-DICHLORO-4-[(4-ETHOXYPHENYL)-AMINO]-3-NITRO-4-(1H-1,2,4-TRIAZOL-1-YL)-BUTA-1,3-DIEN-2-YL]-AMINO]-3-AZA-BICYCLO-[3.1.0]-HEXANE-3-CAR
SpectraBase Compound ID FFYNCg2iEH6
InChI InChI=1S/C24H29Cl2N7O5/c1-5-37-15-8-6-14(7-9-15)29-22(32-13-27-12-28-32)20(33(35)36)19(21(25)26)30-18-16-10-31(11-17(16)18)23(34)38-24(2,3)4/h6-9,12-13,16-18,29-30H,5,10-11H2,1-4H3/b22-20+/t16-,17+,18+
InChIKey FTRNXRSQZLPKIX-KFLYOJFVSA-N
Mol Weight 566.45 g/mol
Molecular Formula C24H29Cl2N7O5
Exact Mass 565.160722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1GSdYgrXkW
Name tert-Butyl (1S,5R)- 6-(((E)-1,1-dichloro-4-((4-ethoxyphenyl)amino)-3-nitro-4-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-2-yl)amino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29Cl2N7O5
InChI InChI=1S/C24H29Cl2N7O5/c1-5-37-15-8-6-14(7-9-15)29-22(32-13-27-12-28-32)20(33(35)36)19(21(25)26)30-18-16-10-31(11-17(16)18)23(34)38-24(2,3)4/h6-9,12-13,16-18,29-30H,5,10-11H2,1-4H3/b22-20+/t16-,17+,18+
InChIKey FTRNXRSQZLPKIX-KFLYOJFVSA-N
Instrument Name Hewlett Packard MS 5989B
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.69
Molecular Weight 566.446 g/mol
Reported Formula C24H29Cl2N7O5
SMILES N([C@]1([C@]2(CN(C(OC(C)(C)C)=O)C[C@@]12[H])[H])[H])C(\C(=C\([n]1ncnc1)Nc1ccc(cc1)OCC)[N+](=O)[O-])=C(Cl)Cl
SPLASH splash10-0002-9000030000-baf7225bb076badff02d
Source of Spectrum BJO-8-SM7-16
Wiley ID 1867397