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Cyclopentenyl fentanyl

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

Cyclopentenyl fentanyl
SpectraBase Compound ID J0CIsg9cZRm
InChI InChI=1S/C25H30N2O/c28-25(22-11-7-8-12-22)27(23-13-5-2-6-14-23)24-16-19-26(20-17-24)18-15-21-9-3-1-4-10-21/h1-6,9-11,13-14,24H,7-8,12,15-20H2
InChIKey SYSQDIUBJXIHAM-UHFFFAOYSA-N
Mol Weight 374.53 g/mol
Molecular Formula C25H30N2O
Exact Mass 374.235814 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4ShUakBlx9T
Name Cyclopentenyl fentanyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.235813593 u
Formula C25H30N2O
InChI InChI=1S/C25H30N2O/c28-25(22-11-7-8-12-22)27(23-13-5-2-6-14-23)24-16-19-26(20-17-24)18-15-21-9-3-1-4-10-21/h1-6,9-11,13-14,24H,7-8,12,15-20H2
InChIKey SYSQDIUBJXIHAM-UHFFFAOYSA-N
Molecular Weight 374.528 g/mol
SMILES C1N(CCC(C1)N(C(=O)C1=CCCC1)C=1C=CC=CC1)CCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953074