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(1S,3aR)-N,N-bis(2-(35Cl)chloranylethyl)-6,7-dimethoxy-1-oxo-3,3a,4,9-tetrahydro-[1,3,2]oxazaphospholo[3,4-b]isoquinolin-1-amine

View entire compound with spectra: 1 MS (GC)

(1S,3aR)-N,N-bis(2-(35Cl)chloranylethyl)-6,7-dimethoxy-1-oxo-3,3a,4,9-tetrahydro-[1,3,2]oxazaphospholo[3,4-b]isoquinolin-1-amine
SpectraBase Compound ID AYwxalnfwlw
InChI InChI=1S/C16H23Cl2N2O4P/c1-22-15-8-12-7-14-11-24-25(21,19(5-3-17)6-4-18)20(14)10-13(12)9-16(15)23-2/h8-9,14H,3-7,10-11H2,1-2H3/t14-,25+/m1/s1/i17+0,18+0
InChIKey UWHWXTBSMIAXCU-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 BhvyJHQFB3w
Name (1S,3aR)-N,N-bis(2-(35Cl)chloranylethyl)-6,7-dimethoxy-1-oxo-3,3a,4,9-tetrahydro-[1,3,2]oxazaphospholo[3,4-b]isoquinolin-1-amine
Comments Original formula: C16H23[35Cl]2N2O4P
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23Cl2N2O4P
InChI InChI=1S/C16H23Cl2N2O4P/c1-22-15-8-12-7-14-11-24-25(21,19(5-3-17)6-4-18)20(14)10-13(12)9-16(15)23-2/h8-9,14H,3-7,10-11H2,1-2H3/t14-,25+/m1/s1/i17+0,18+0
InChIKey UWHWXTBSMIAXCU-CYQINLIESA-N
Molecular Weight 408.281 g/mol
SMILES c1(cc2c(cc1OC)CN1[C@](C2)(CO[P@@]1(=O)N(CC[35Cl])CC[35Cl])[H])OC
SPLASH splash10-0a4i-0122900000-5f9fa15515b75cd764d6
Source of Spectrum RCM-22-1522-14a
Synonyms (1S,3aR)-1-(bis(2-(chloro-35Cl)ethyl)amino)-6,7-dimethoxy-3,3a,4,9-tetrahydro-[1,3,2]oxazaphospholo[3,4-b]isoquinoline 1-oxide
Wiley ID 1814445