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Ethylbenzoylecgonine
SpectraBase Compound ID La1HhznX0fH
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m1/s1
InChIKey NMPOSNRHZIWLLL-QXSJWSMHSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kI4PYKUKRl
Name ETHYLBENZOYLECGONINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m1/s1
InChIKey NMPOSNRHZIWLLL-QXSJWSMHSA-N
Instrument Name GC
Molecular Weight 317.385 g/mol
SMILES C1C[C@]2(N(C)[C@@]1([C@](C(OCC)=O)([C@](OC(c1ccccc1)=O)(C2)[H])[H])[H])[H]
SPLASH splash10-001i-9300000000-897bb3b7d565af29c723
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany