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(3S,10bS)-N,N-bis(2-(35Cl)chloranylethyl)-8,9-dimethoxy-3-oxo-1,5,6,10b-tetrahydro-[1,3,2]oxazaphospholo[4,3-a]isoquinolin-3-amine

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(3S,10bS)-N,N-bis(2-(35Cl)chloranylethyl)-8,9-dimethoxy-3-oxo-1,5,6,10b-tetrahydro-[1,3,2]oxazaphospholo[4,3-a]isoquinolin-3-amine
SpectraBase Compound ID BroMAIDojSe
InChI InChI=1S/C16H23Cl2N2O4P/c1-22-15-9-12-3-6-20-14(13(12)10-16(15)23-2)11-24-25(20,21)19(7-4-17)8-5-18/h9-10,14H,3-8,11H2,1-2H3/t14-,25+/m1/s1/i17+0,18+0
InChIKey RXIWIMDXUBCADA-CYQINLIESA-N
Mol Weight 408.28 g/mol
Molecular Formula C16H2335Cl2N2O4P
Exact Mass 408.07725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEYVIeF5M9D
Name (3S,10bS)-N,N-bis(2-(35Cl)chloranylethyl)-8,9-dimethoxy-3-oxo-1,5,6,10b-tetrahydro-[1,3,2]oxazaphospholo[4,3-a]isoquinolin-3-amine
Comments Original formula: C16H23[35Cl]2N2O4P
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23Cl2N2O4P
InChI InChI=1S/C16H23Cl2N2O4P/c1-22-15-9-12-3-6-20-14(13(12)10-16(15)23-2)11-24-25(20,21)19(7-4-17)8-5-18/h9-10,14H,3-8,11H2,1-2H3/t14-,25+/m1/s1/i17+0,18+0
InChIKey RXIWIMDXUBCADA-CYQINLIESA-N
Molecular Weight 408.281 g/mol
SMILES c1(cc2c(cc1OC)[C@@]1(N(CC2)[P@](OC1)(=O)N(CC[35Cl])CC[35Cl])[H])OC
SPLASH splash10-0ab9-0006900000-45ff4416f8b0ced95de3
Source of Spectrum RCM-22-1522-12b
Synonyms (3S,10bS)-3-(bis(2-(chloro-35Cl)ethyl)amino)-8,9-dimethoxy-1,5,6,10b-tetrahydro-[1,3,2]oxazaphospholo[4,3-a]isoquinoline 3-oxide
Wiley ID 1814442