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1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone
SpectraBase Compound ID 1scjPTaVhxV
InChI InChI=1S/C13H17NO/c1-2-5-13(15)14-9-8-11-6-3-4-7-12(11)10-14/h3-4,6-7H,2,5,8-10H2,1H3
InChIKey ZXTCTQAMMDMRTH-UHFFFAOYSA-N
Mol Weight 203.28 g/mol
Molecular Formula C13H17NO
Exact Mass 203.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0LHuBmD2Wi
Name 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone
Alternate Name(s) 1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO
InChI InChI=1S/C13H17NO/c1-2-5-13(15)14-9-8-11-6-3-4-7-12(11)10-14/h3-4,6-7H,2,5,8-10H2,1H3
InChIKey ZXTCTQAMMDMRTH-UHFFFAOYSA-N
Molecular Weight 203.285 g/mol
SMILES C1N(CCc2ccccc12)C(=O)CCC
SPLASH splash10-0f96-9210000000-43c4ff7f2f88c7c901d8
Source of Spectrum KC-0-2840-10
Wiley ID 823430