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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 JIv20VE1j1M
Name Cyclobenzaprine
CAS Registry Number 303-53-7
Classification Pharmaceutical drug, antidepressant, central muscle relaxant
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 275.167399680 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 275.395 g/mol
Nominal Mass 275 u
Quality 991
Retention Index 2148
SMILES C1(C=2C(C=CC3=C1C=CC=C3)=CC=CC2)=CCCN(C)C
SPLASH splash10-0a4i-9130000000-7dece88fdcf7e5ca5700
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(5H-Dibenzo[a,d]-cyclohepten-5-ylidene)-N,N-dimethylpropylamine
Technique GC/MS
Wiley ID DD2024_033353