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(E)-4-[1-[2-(Carbomethoxy)ethenyl]]phencyclidine
SpectraBase Compound ID 5njnrX5Xy8K
InChI InChI=1S/C21H29NO2/c1-24-20(23)11-10-18-12-16-22(17-13-18)21(14-6-3-7-15-21)19-8-4-2-5-9-19/h2,4-5,8-11,18H,3,6-7,12-17H2,1H3/b11-10+
InChIKey DVKKSFWTURARNU-ZHACJKMWSA-N
Mol Weight 327.47 g/mol
Molecular Formula C21H29NO2
Exact Mass 327.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxQ7ghqYmRy
Name (E)-4-[1-[2-(Carbomethoxy)ethenyl]]phencyclidine
Alternate Name(s) Methyl (2E)-3-[1-(1-phenylcyclohexyl)-4-piperidinyl]-2-propenoate
CAS Registry Number 77415-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO2
InChI InChI=1S/C21H29NO2/c1-24-20(23)11-10-18-12-16-22(17-13-18)21(14-6-3-7-15-21)19-8-4-2-5-9-19/h2,4-5,8-11,18H,3,6-7,12-17H2,1H3/b11-10+
InChIKey DVKKSFWTURARNU-ZHACJKMWSA-N
Molecular Weight 327.468 g/mol
SMILES C1(N2CCC(\C=C\C(=O)OC)CC2)(c2ccccc2)CCCCC1
SPLASH splash10-001i-9263000000-9be25d726900e9a93065
Source of Spectrum J-46-2770-0
Wiley ID 1325733