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#1;ALFENTANIL-HYDROCHLORIDE;MAJOR-ISOMER-A;N-[1-[2-(4-ETHYL-5-OXO-4,5-DIHYDRO-1H-1,2,3,4-TETRAZOL-1-YL)-ETHYL]-4-(METHOXYMETHYL)-PIPERIDIN-4-YL]-N-PHENY

View entire compound with spectra: 2 NMR

#1;ALFENTANIL-HYDROCHLORIDE;MAJOR-ISOMER-A;N-[1-[2-(4-ETHYL-5-OXO-4,5-DIHYDRO-1H-1,2,3,4-TETRAZOL-1-YL)-ETHYL]-4-(METHOXYMETHYL)-PIPERIDIN-4-YL]-N-PHENY
SpectraBase Compound ID KXQLLf1rYuR
InChI InChI=1S/C21H32N6O3.ClH/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26;/h6-10H,4-5,11-17H2,1-3H3;1H
InChIKey AQORHZJDCHLLJN-UHFFFAOYSA-N
Mol Weight 453.0 g/mol
Molecular Formula C21H33ClN6O3
Exact Mass 452.230267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aevUKkgpBX
Name #1;ALFENTANIL-HYDROCHLORIDE;MINOR-ISOMER-B;N-[1-[2-(4-ETHYL-5-OXO-4,5-DIHYDRO-1H-1,2,3,4-TETRAZOL-1-YL)-ETHYL]-4-(METHOXYMETHYL)-PIPERIDIN-4-YL]-N-PHENY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33ClN6O3
InChI InChI=1S/C21H32N6O3.ClH/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26;/h6-10H,4-5,11-17H2,1-3H3;1H
InChIKey AQORHZJDCHLLJN-UHFFFAOYSA-N
Literature Reference Author C.JAIME,A.VIRGILI,S.PORTILLO,A.CAPARROS,K.K.BURUSCO
Literature Reference Citation MAGN.RES.CHEM.,52,440(2014)
Literature Reference DOI 10.1002/mrc.4085
Molecular Weight 452.984 g/mol
Solvent CDCl3
Source File Reference UWBT15633