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N-Carbethoxy-1,2-seco-1-chloronarcotine isomer
SpectraBase Compound ID 23BkEx5levR
InChI InChI=1S/C25H28ClNO9/c1-6-33-25(29)27(2)10-9-13-11-16-22(35-12-34-16)23(32-5)17(13)19(26)20-14-7-8-15(30-3)21(31-4)18(14)24(28)36-20/h7-8,11,19-20H,6,9-10,12H2,1-5H3/t19-,20-/m0/s1
InChIKey YKGXLAZCNWSZTB-PMACEKPBSA-N
Mol Weight 521.95 g/mol
Molecular Formula C25H28ClNO9
Exact Mass 521.145259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QspwutflQm
Name N-Carbethoxy-1,2-seco-1-chloronarcotine isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28ClNO9
InChI InChI=1S/C25H28ClNO9/c1-6-33-25(29)27(2)10-9-13-11-16-22(35-12-34-16)23(32-5)17(13)19(26)20-14-7-8-15(30-3)21(31-4)18(14)24(28)36-20/h7-8,11,19-20H,6,9-10,12H2,1-5H3/t19-,20-/m0/s1
InChIKey YKGXLAZCNWSZTB-PMACEKPBSA-N
Molecular Weight 521.950 g/mol
SMILES c12C(O[C@@](c2ccc(c1OC)OC)([C@](c1c(c2OCOc2cc1CCN(C(=O)OCC)C)OC)(Cl)[H])[H])=O
SPLASH splash10-00di-0292000000-1d7eb2a569cea968620f
Source of Spectrum E1-43-1997-6
Wiley ID 1553153