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para-Chloro cyclobutyl fentanyl

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

para-Chloro cyclobutyl fentanyl
SpectraBase Compound ID 6uW5BUVDVNj
InChI InChI=1S/C24H29ClN2O/c25-21-9-11-22(12-10-21)27(24(28)20-7-4-8-20)23-14-17-26(18-15-23)16-13-19-5-2-1-3-6-19/h1-3,5-6,9-12,20,23H,4,7-8,13-18H2
InChIKey BCYKSTXBLMALSD-UHFFFAOYSA-N
Mol Weight 396.96 g/mol
Molecular Formula C24H29ClN2O
Exact Mass 396.196841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IzXV0ix2pC
Name para-Chloro cyclobutyl fentanyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.196841261 u
Formula C24H29ClN2O
InChI InChI=1S/C24H29ClN2O/c25-21-9-11-22(12-10-21)27(24(28)20-7-4-8-20)23-14-17-26(18-15-23)16-13-19-5-2-1-3-6-19/h1-3,5-6,9-12,20,23H,4,7-8,13-18H2
InChIKey BCYKSTXBLMALSD-UHFFFAOYSA-N
Molecular Weight 396.962 g/mol
SMILES C1N(CCC(C1)N(C(=O)C1CCC1)C=1C=CC(=CC1)Cl)CCC=1C=CC=CC1