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Isoquinoline, 1-(2,2-dimethylpropyl)-
SpectraBase Compound ID 4KKZOy2qZFp
InChI InChI=1S/C14H17N/c1-14(2,3)10-13-12-7-5-4-6-11(12)8-9-15-13/h4-9H,10H2,1-3H3
InChIKey OPFFYDNTKKPJMI-UHFFFAOYSA-N
Mol Weight 199.3 g/mol
Molecular Formula C14H17N
Exact Mass 199.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RtPSh2kWmB
Name Isoquinoline, 1-(2,2-dimethylpropyl)-
Alternate Name(s) 1-Neopentylisoquinoline 1-(2,2-Dimethylpropyl)isoquinoline
CAS Registry Number 55724-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N
InChI InChI=1S/C14H17N/c1-14(2,3)10-13-12-7-5-4-6-11(12)8-9-15-13/h4-9H,10H2,1-3H3
InChIKey OPFFYDNTKKPJMI-UHFFFAOYSA-N
Molecular Weight 199.297 g/mol
SMILES CC(C)(C)Cc1c2ccccc2ccn1
SPLASH splash10-0006-2900000000-ce9c387474bc9b923e55
Source of Spectrum SD-1981-0-0
Wiley ID 1196935