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3-Acetoxy-4-(3-(5H-dibenz[b,f]azepin-5-yl)propyl)-1-(2-acetoxyethyl)piperazine
SpectraBase Compound ID 7fYPkRwzYEG
InChI InChI=1S/C27H33N3O4/c1-21(31)33-19-18-28-16-17-29(27(20-28)34-22(2)32)14-7-15-30-25-10-5-3-8-23(25)12-13-24-9-4-6-11-26(24)30/h3-6,8-13,27H,7,14-20H2,1-2H3
InChIKey ZJSGHLVROFAZOG-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C27H33N3O4
Exact Mass 463.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxdAi8fJ9p3
Name 3-Acetoxy-4-(3-(5H-dibenz[b,f]azepin-5-yl)propyl)-1-(2-acetoxyethyl)piperazine
Alternate Name(s) 2-{3-(acetyloxy)-4-[3-(5H-dibenzo[b,f]azepin-5-yl)propyl]-1-piperazinyl}ethyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33N3O4
InChI InChI=1S/C27H33N3O4/c1-21(31)33-19-18-28-16-17-29(27(20-28)34-22(2)32)14-7-15-30-25-10-5-3-8-23(25)12-13-24-9-4-6-11-26(24)30/h3-6,8-13,27H,7,14-20H2,1-2H3
InChIKey ZJSGHLVROFAZOG-UHFFFAOYSA-N
Molecular Weight 463.578 g/mol
SMILES c12N(c3c(C=Cc2cccc1)cccc3)CCCN1C(OC(=O)C)CN(CC1)CCOC(=O)C
SPLASH splash10-074r-9540700000-1fcb2f5982756b168ed0
Source of Spectrum CJ-1992-0-0
Wiley ID 1391331