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(E)-4-[1-(4-Phthalimido-1-butenyl)]phencyclidine
SpectraBase Compound ID CSGt8FhD5Qr
InChI InChI=1S/C29H34N2O2/c32-27-25-12-3-4-13-26(25)28(33)31(27)22-10-5-11-23-14-16-24(17-15-23)29(18-6-1-7-19-29)30-20-8-2-9-21-30/h3-5,11-17H,1-2,6-10,18-22H2/b11-5+
InChIKey LNJIUEBNEGYOCW-VZUCSPMQSA-N
Mol Weight 442.6 g/mol
Molecular Formula C29H34N2O2
Exact Mass 442.262028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Fk7TQgYiJk
Name (E)-4-[1-(4-Phthalimido-1-butenyl)]phencyclidine
CAS Registry Number 77415-84-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34N2O2
InChI InChI=1S/C29H34N2O2/c32-27-25-12-3-4-13-26(25)28(33)31(27)22-10-5-11-23-14-16-24(17-15-23)29(18-6-1-7-19-29)30-20-8-2-9-21-30/h3-5,11-17H,1-2,6-10,18-22H2/b11-5+
InChIKey LNJIUEBNEGYOCW-VZUCSPMQSA-N
Molecular Weight 442.603 g/mol
SMILES C1(N(C(c2ccccc12)=O)CC\C=C\c1ccc(C2(N3CCCCC3)CCCCC2)cc1)=O
SPLASH splash10-03fr-0943100000-9dab2320a6570c0145a1
Source of Spectrum J-46-2769-0
Synonyms 2-((3E)-4-{4-[1-(1-piperidinyl)cyclohexyl]phenyl}-3-butenyl)-1H-isoindole-1,3(2H)-dione
Wiley ID 1385495