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Denatonium

View entire compound with spectra: 1 MS (GC)

Denatonium
SpectraBase Compound ID KFEN3prHg4r
InChI InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1
InChIKey ZFQMTVNLDNXRNQ-UHFFFAOYSA-O
Mol Weight 325.48 g/mol
Molecular Formula C21H29N2O
Exact Mass 325.227989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Av1FKKmf3gh
Name Denatonium
Catalog Number 26350
CAS Registry Number 3734-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29N2O
InChI InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1
InChIKey ZFQMTVNLDNXRNQ-UHFFFAOYSA-O
Molecular Weight 325.476 g/mol
SMILES N(C(=O)C[N+](CC)(CC)Cc1ccccc1)c1c(C)cccc1C
SPLASH splash10-004i-2910000000-2318c62716819f9e9956
Source of Spectrum CAY-2023-406-0
Wiley ID 1888372