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2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile

View entire compound with spectra: 2 MS (GC)

2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile
SpectraBase Compound ID 2OrdPtUYboY
InChI InChI=1S/C11H12N2/c1-13-6-5-11-9(7-12)3-2-4-10(11)8-13/h2-4H,5-6,8H2,1H3
InChIKey BYSRJARWBRONAE-UHFFFAOYSA-N
Mol Weight 172.23 g/mol
Molecular Formula C11H12N2
Exact Mass 172.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ij7vepSIiVD
Name 2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C11H12N2
InChI InChI=1S/C11H12N2/c1-13-6-5-11-9(7-12)3-2-4-10(11)8-13/h2-4H,5-6,8H2,1H3
InChIKey BYSRJARWBRONAE-UHFFFAOYSA-N
Molecular Weight 172.231 g/mol
SMILES C1N(CCc2c(cccc12)C#N)C
SPLASH splash10-00di-0900000000-91109b1b2fdfc06cc601
Source of Spectrum D8-323-152-4
Wiley ID 1513533