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(2S,4S,11bR)-N,N-bis(2-(35Cl)chloranylethyl)-9,10-dimethoxy-4-oxo-2-phenyl-2,6,7,11b-tetrahydro-1H-[1,3,2]oxazaphosphinino[4,3-a]isoquinolin-4-amine

View entire compound with spectra: 1 MS (GC)

(2S,4S,11bR)-N,N-bis(2-(35Cl)chloranylethyl)-9,10-dimethoxy-4-oxo-2-phenyl-2,6,7,11b-tetrahydro-1H-[1,3,2]oxazaphosphinino[4,3-a]isoquinolin-4-amine
SpectraBase Compound ID FbFJO1pr5jM
InChI InChI=1S/C23H29Cl2N2O4P/c1-29-22-14-18-8-11-27-20(19(18)15-23(22)30-2)16-21(17-6-4-3-5-7-17)31-32(27,28)26(12-9-24)13-10-25/h3-7,14-15,20-21H,8-13,16H2,1-2H3/t20-,21+,32+/m1/s1/i24+0,25+0
InChIKey LOCOCECTOAAKHN-RVCOAMSBSA-N
Mol Weight 498.41 g/mol
Molecular Formula C23H2935Cl2N2O4P
Exact Mass 498.1242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrsL5NW5pbN
Name (2S,4S,11bR)-N,N-bis(2-(35Cl)chloranylethyl)-9,10-dimethoxy-4-oxo-2-phenyl-2,6,7,11b-tetrahydro-1H-[1,3,2]oxazaphosphinino[4,3-a]isoquinolin-4-amine
Comments Original formula: C23H29[35Cl]2N2O4P
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29Cl2N2O4P
InChI InChI=1S/C23H29Cl2N2O4P/c1-29-22-14-18-8-11-27-20(19(18)15-23(22)30-2)16-21(17-6-4-3-5-7-17)31-32(27,28)26(12-9-24)13-10-25/h3-7,14-15,20-21H,8-13,16H2,1-2H3/t20-,21+,32+/m1/s1/i24+0,25+0
InChIKey LOCOCECTOAAKHN-RVCOAMSBSA-N
Molecular Weight 498.406 g/mol
SMILES c1(cc2c(cc1OC)[C@@]1(N(CC2)[P@@](O[C@@](C1)(c1ccccc1)[H])(N(CC[35Cl])CC[35Cl])=O)[H])OC
SPLASH splash10-0005-0515900000-5b6416c179332d617f5e
Source of Spectrum RCM-22-1521-4b
Synonyms (2S,4S,11bR)-4-(bis(2-(chloro-35Cl)ethyl)amino)-9,10-dimethoxy-2-phenyl-1,6,7,11b-tetrahydro-2H-[1,3,2]oxazaphosphinino[4,3-a]isoquinoline 4-oxide
Wiley ID 1814458