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CINNAMOYLECGONINE
SpectraBase Compound ID G3LZxVlzyEn
InChI InChI=1S/C18H21NO4/c1-19-13-8-9-14(19)17(18(21)22)15(11-13)23-16(20)10-7-12-5-3-2-4-6-12/h2-7,10,13-15,17H,8-9,11H2,1H3,(H,21,22)/b10-7+/t13-,14+,15-,17+/m1/s1
InChIKey MDTUUUPKNSURIT-OWKHNUEASA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56GNJ6ddSeD
Name CINNAMOYLECGONINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-19-13-8-9-14(19)17(18(21)22)15(11-13)23-16(20)10-7-12-5-3-2-4-6-12/h2-7,10,13-15,17H,8-9,11H2,1H3,(H,21,22)/b10-7+/t13-,14+,15-,17+/m1/s1
InChIKey MDTUUUPKNSURIT-OWKHNUEASA-N
Instrument Name GC
Molecular Weight 315.369 g/mol
SMILES OC(=O)[C@@]1([C@](OC(\C=C\c2ccccc2)=O)(C[C@@]2(N(C)[C@]1(CC2)[H])[H])[H])[H]
SPLASH splash10-00e9-9700000000-3a2762775753f8ffcb53
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany