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(1R*,4R*)-4-Allyl-4-cyano-1-methyl-1,2,3,4-tetrahydroisoquinoline-3(2H)-one

View entire compound with spectra: 1 MS (GC)

(1R*,4R*)-4-Allyl-4-cyano-1-methyl-1,2,3,4-tetrahydroisoquinoline-3(2H)-one
SpectraBase Compound ID LW3mZLed0r3
InChI InChI=1S/C14H14N2O/c1-3-8-14(9-15)12-7-5-4-6-11(12)10(2)16-13(14)17/h3-7,10H,1,8H2,2H3,(H,16,17)/t10-,14+/m1/s1
InChIKey IXMZKWVOMUSORH-YGRLFVJLSA-N
Mol Weight 226.28 g/mol
Molecular Formula C14H14N2O
Exact Mass 226.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7698o3hmRha
Name (1R*,4R*)-4-Allyl-4-cyano-1-methyl-1,2,3,4-tetrahydroisoquinoline-3(2H)-one
Alternate Name(s) (1R,4R)-4-allyl-1-methyl-3-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O
InChI InChI=1S/C14H14N2O/c1-3-8-14(9-15)12-7-5-4-6-11(12)10(2)16-13(14)17/h3-7,10H,1,8H2,2H3,(H,16,17)/t10-,14+/m1/s1
InChIKey IXMZKWVOMUSORH-YGRLFVJLSA-N
Molecular Weight 226.279 g/mol
SMILES N1[C@@](c2c([C@@](C1=O)(C#N)CC=C)cccc2)(C)[H]
SPLASH splash10-03di-2490000000-b0ab97f4bcf6dcccc393
Source of Spectrum Y1-35-469-3
Wiley ID 1526721