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1-CHLORO-HEROIN

View entire compound with spectra: 1 NMR

1-CHLORO-HEROIN
SpectraBase Compound ID GmirKEd266O
InChI InChI=1S/C21H22ClNO5/c1-10(24)26-16-5-4-13-15-8-12-14(22)9-17(27-11(2)25)19-18(12)21(13,20(16)28-19)6-7-23(15)3/h4-5,9,13,15-16,20H,6-8H2,1-3H3/t13-,15+,16-,20-,21-/m0/s1
InChIKey WBYKCTFDWVZEAR-WRQIZKCVSA-N
Mol Weight 403.86 g/mol
Molecular Formula C21H22ClNO5
Exact Mass 403.118651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 735EnywT9n4
Name 1-CHLORO-HEROIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22ClNO5
InChI InChI=1S/C21H22ClNO5/c1-10(24)26-16-5-4-13-15-8-12-14(22)9-17(27-11(2)25)19-18(12)21(13,20(16)28-19)6-7-23(15)3/h4-5,9,13,15-16,20H,6-8H2,1-3H3/t13-,15+,16-,20-,21-/m0/s1
InChIKey WBYKCTFDWVZEAR-WRQIZKCVSA-N
Literature Reference Author J.F.CASALE,S.G.TOSKE,P.A.HAYS
Literature Reference Citation J.FORENSIC.SCI.,54,359(2009)
Literature Reference DOI 10.1111/j.1556-4029.2009.00985.x
Molecular Weight 403.862 g/mol
Source File Reference UWLU75257