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7-Nitro-3,4-dihydro-2H-isoquinolin-1-one

View entire compound with spectra: 3 MS (GC)

7-Nitro-3,4-dihydro-2H-isoquinolin-1-one
SpectraBase Compound ID KzHG2H57bU4
InChI InChI=1S/C9H8N2O3/c12-9-8-5-7(11(13)14)2-1-6(8)3-4-10-9/h1-2,5H,3-4H2,(H,10,12)
InChIKey QJSWPNBVJSANQK-UHFFFAOYSA-N
Mol Weight 192.17 g/mol
Molecular Formula C9H8N2O3
Exact Mass 192.053492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64HQODiPxLL
Name 7-Nitro-3,4-dihydro-2H-isoquinolin-1-one
Alternate Name(s) 7-Nitro-3,4-dihydroisocarbostyril
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O3
InChI InChI=1S/C9H8N2O3/c12-9-8-5-7(11(13)14)2-1-6(8)3-4-10-9/h1-2,5H,3-4H2,(H,10,12)
InChIKey QJSWPNBVJSANQK-UHFFFAOYSA-N
Molecular Weight 192.174 g/mol
SMILES N1CCc2ccc(cc2C1=O)N(=O)=O
SPLASH splash10-03du-2900000000-acbfdd1b53c80ddbdc91
Source of Spectrum QB-21-866-11
Wiley ID 860536