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2-[3-Cyclopropyl-1-oxoisoquinolin-2(1H)-yl]-pyridine-1-oxide
SpectraBase Compound ID AiFWNaD5WU3
InChI InChI=1S/C17H14N2O2/c20-17-14-6-2-1-5-13(14)11-15(12-8-9-12)19(17)16-7-3-4-10-18(16)21/h1-7,10-12H,8-9H2
InChIKey RXSRKOKCFBAFKS-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C17H14N2O2
Exact Mass 278.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ww3m78qLg
Name 2-[3-Cyclopropyl-1-oxoisoquinolin-2(1H)-yl]-pyridine-2-oxide
Appearance White solid
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Exact Mass 278.105527697 u
Formula C17H14N2O2
InChI InChI=1S/C17H14N2O2/c20-17-14-6-2-1-5-13(14)11-15(12-8-9-12)19(17)16-7-3-4-10-18(16)21/h1-7,10-12H,8-9H2
InChIKey RXSRKOKCFBAFKS-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201712647
Quality 188
Reported Formula C17H14N2O2
SMILES C12=C(C=C(N(C2=O)C=2[N+](=CC=CC2)[O-])C2CC2)C=CC=C1
SPLASH splash10-01u0-3490000000-ab3e8051c5a0e177955f
Source of Spectrum ACI-57-SM21-3ai (DOI: 10.1002/anie.201712647)
Wiley ID 1891211