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Cocaine, 3',4',5'-trimethoxy-
SpectraBase Compound ID A9tlRRLnbqQ
InChI InChI=1S/C20H27NO7/c1-21-12-6-7-13(21)17(20(23)27-5)14(10-12)28-19(22)11-8-15(24-2)18(26-4)16(9-11)25-3/h8-9,12-14,17H,6-7,10H2,1-5H3/t12-,13+,14-,17+/m1/s1
InChIKey QXCDXRYKFKIOPT-OEUWWYETSA-N
Mol Weight 393.44 g/mol
Molecular Formula C20H27NO7
Exact Mass 393.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7A0vY8LUDB
Name 3`,4`,5`-TRIMETHOXYCOCAINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H27NO7
InChI InChI=1S/C20H27NO7/c1-21-12-6-7-13(21)17(20(23)27-5)14(10-12)28-19(22)11-8-15(24-2)18(26-4)16(9-11)25-3/h8-9,12-14,17H,6-7,10H2,1-5H3/t12-,13+,14-,17+/m1/s1
InChIKey QXCDXRYKFKIOPT-OEUWWYETSA-N
Instrument Name GC
Molecular Weight 393.436 g/mol
SMILES C1C[C@]2(N(C)[C@@]1([C@](C(OC)=O)([C@](OC(c1cc(OC)c(OC)c(OC)c1)=O)(C2)[H])[H])[H])[H]
SPLASH splash10-001i-9600000000-675c19a603db5c66360b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany