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1-(2-methylbenzyl)-3,4-dihydroisoquinoline
SpectraBase Compound ID 1bmQ36Nhkal
InChI InChI=1S/C17H17N/c1-13-6-2-3-8-15(13)12-17-16-9-5-4-7-14(16)10-11-18-17/h2-9H,10-12H2,1H3
InChIKey JLVQCRPNRBZDJV-UHFFFAOYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C17H17N
Exact Mass 235.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ecagjY1uZ2
Name 1-(2-methylbenzyl)-3,4-dihydroisoquinoline
Alternate Name(s) 1-(o-tolylmethyl)-3,4-dihydroisoquinoline
CAS Registry Number 104330-69-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N
InChI InChI=1S/C17H17N/c1-13-6-2-3-8-15(13)12-17-16-9-5-4-7-14(16)10-11-18-17/h2-9H,10-12H2,1H3
InChIKey JLVQCRPNRBZDJV-UHFFFAOYSA-N
Molecular Weight 235.330 g/mol
SMILES C1(=NCCc2c1cccc2)Cc1c(C)cccc1
SPLASH splash10-00di-0090000000-ada2ef7d22529a12549b
Source of Spectrum J-53-5127-73
Wiley ID 1237398