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2-[(1E)-1-propenyl]-1(2H)-isoquinolinone
SpectraBase Compound ID 1qQ8LKVoPSZ
InChI InChI=1S/C12H11NO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12(13)14/h2-9H,1H3/b8-2+
InChIKey BTTQJHYPZXJOMJ-KRXBUXKQSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgYpBUGklP1
Name 2-[(1E)-1-propenyl]-1(2H)-isoquinolinone
Alternate Name(s) 2-[(E)-prop-1-enyl]-1-isoquinolinone 2-[(E)-prop-1-enyl]isocarbostyril 2-[(E)-prop-1-enyl]isoquinolin-1-one
CAS Registry Number 139583-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO
InChI InChI=1S/C12H11NO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12(13)14/h2-9H,1H3/b8-2+
InChIKey BTTQJHYPZXJOMJ-KRXBUXKQSA-N
Molecular Weight 185.226 g/mol
SMILES C1(N(C=Cc2c1cccc2)\C=C\C)=O
SPLASH splash10-014i-2900000000-f004fcd000317a78f967
Source of Spectrum J-57-2705-22
Wiley ID 1182051