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Isobutyryl fentanyl

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 4 MS (GC)

Isobutyryl fentanyl
SpectraBase Compound ID B4CEJcerCHm
InChI InChI=1S/C23H30N2O/c1-19(2)23(26)25(21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3
InChIKey WRPFPNIHTOSMKU-UHFFFAOYSA-N
Mol Weight 350.51 g/mol
Molecular Formula C23H30N2O
Exact Mass 350.235814 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HAygvVCKATA
Name Isobutyryl fentanyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.235813593 u
Formula C23H30N2O
InChI InChI=1S/C23H30N2O/c1-19(2)23(26)25(21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3
InChIKey WRPFPNIHTOSMKU-UHFFFAOYSA-N
Molecular Weight 350.506 g/mol
SMILES C1C(CCN(C1)CCC1=CC=CC=C1)N(C(C(C)C)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Raman) 0.990592