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Cocaine-M (HO-BZE) ACTMS
SpectraBase Compound ID HFzhS5P25PN
InChI InChI=1S/C21H29NO6Si/c1-13(23)26-16-9-6-14(7-10-16)20(24)27-18-12-15-8-11-17(22(15)2)19(18)21(25)28-29(3,4)5/h6-7,9-10,15,17-19H,8,11-12H2,1-5H3
InChIKey XBRWLTQFSOBHGO-UHFFFAOYSA-N
Mol Weight 419.55 g/mol
Molecular Formula C21H29NO6Si
Exact Mass 419.176414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5P1Hpe8wFOw
Name Cocaine-m (ho-bze) actms P1506
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.176414187 u
Formula C21H29NO6Si
InChI InChI=1S/C21H29NO6Si/c1-13(23)26-16-9-6-14(7-10-16)20(24)27-18-12-15-8-11-17(22(15)2)19(18)21(25)28-29(3,4)5/h6-7,9-10,15,17-19H,8,11-12H2,1-5H3
InChIKey XBRWLTQFSOBHGO-UHFFFAOYSA-N
Molecular Weight 419.549 g/mol
SMILES C1(=CC=C(C=C1)OC(=O)C)C(OC1CC2N(C)C(C1C(O[Si](C)(C)C)=O)CC2)=O