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Benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
SpectraBase Compound ID BzAe19AcvV2
InChI InChI=1S/C17H11NO6/c19-16(23-10-11-4-2-1-3-5-11)14-9-12-8-13(18(21)22)6-7-15(12)24-17(14)20/h1-9H,10H2
InChIKey AJGIQDDGEMGGTF-UHFFFAOYSA-N
Mol Weight 325.28 g/mol
Molecular Formula C17H11NO6
Exact Mass 325.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UVNB9vdui
Name Benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11NO6
InChI InChI=1S/C17H11NO6/c19-16(23-10-11-4-2-1-3-5-11)14-9-12-8-13(18(21)22)6-7-15(12)24-17(14)20/h1-9H,10H2
InChIKey AJGIQDDGEMGGTF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201701527
Molecular Weight 325.276 g/mol
SMILES c1(cc2c(cc1)OC(C(=C2)C(OCc1ccccc1)=O)=O)[N+]([O-])=O
SPLASH splash10-014l-3960000000-79acded9fc2c33e8eb5d
Source of Spectrum CCC-10-SM14-S45
Wiley ID 1812772