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Cyclobenzaprine
SpectraBase Compound ID IMaculKuqg8
InChI InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
InChIKey JURKNVYFZMSNLP-UHFFFAOYSA-N
Mol Weight 275.39 g/mol
Molecular Formula C20H21N
Exact Mass 275.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Au9JPyqQa4
Name Cyclobenzaprine
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C20H21N
InChI InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
InChIKey JURKNVYFZMSNLP-UHFFFAOYSA-N
SMILES c1ccc2c(c1)C(c1c(cccc1)C=C2)=CCCN(C)C
SPLASH splash10-0a4i-9110000000-0e06961ff0edfef4e665
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences