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.beta.-3,5-ethylenefentanyl oxalate
SpectraBase Compound ID HqoHjCwULH3
InChI InChI=1S/C24H30N2O.C2H2O4/c1-2-23(27)26(22-11-7-4-8-12-22)24-20-13-14-21(24)18-25(17-20)16-15-19-9-5-3-6-10-19;3-1(4)2(5)6/h3-12,20-21,24H,2,13-18H2,1H3;(H,3,4)(H,5,6)
InChIKey RQDVIUFYVRSCCB-UHFFFAOYSA-N
Mol Weight 452.55 g/mol
Molecular Formula C26H32N2O5
Exact Mass 452.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FdZYH9VHQX
Name .beta.-3,5-ethylenefentanyl oxalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O5
InChI InChI=1S/C24H30N2O.C2H2O4/c1-2-23(27)26(22-11-7-4-8-12-22)24-20-13-14-21(24)18-25(17-20)16-15-19-9-5-3-6-10-19;3-1(4)2(5)6/h3-12,20-21,24H,2,13-18H2,1H3;(H,3,4)(H,5,6)
InChIKey RQDVIUFYVRSCCB-UHFFFAOYSA-N
Molecular Weight 452.551 g/mol
SMILES OC(C(=O)O)=O.C1(C2CN(CC1CC2)CCc1ccccc1)N(C(=O)CC)c1ccccc1
SPLASH splash10-0a4i-9510000000-a3fb01fcd17afb19395e
Source of Spectrum R3-1981-1-0
Synonyms N-phenyl-N-[3-(2-phenylethyl)-3-azabicyclo[3.2.1]oct-8-yl]propanamide oxalate
Wiley ID 1388295