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[2-(2-furanyl)-4-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl]-phenylmethanone
SpectraBase Compound ID Gwh0hUYbBvH
InChI InChI=1S/C21H17NO5/c1-13-16-12-15(22(24)25)9-10-17(16)27-21(18-8-5-11-26-18)19(13)20(23)14-6-3-2-4-7-14/h2-13,19,21H,1H3
InChIKey YSMFMBVHEWVBDK-UHFFFAOYSA-N
Mol Weight 363.37 g/mol
Molecular Formula C21H17NO5
Exact Mass 363.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jp4Uqrx4uHT
Name [2-(2-furanyl)-4-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl]-phenylmethanone
CAS Registry Number 116575-99-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO5
InChI InChI=1S/C21H17NO5/c1-13-16-12-15(22(24)25)9-10-17(16)27-21(18-8-5-11-26-18)19(13)20(23)14-6-3-2-4-7-14/h2-13,19,21H,1H3
InChIKey YSMFMBVHEWVBDK-UHFFFAOYSA-N
Molecular Weight 363.369 g/mol
SMILES C1(C(Oc2c(C1C)cc(N(=O)=O)cc2)c1occc1)C(=O)c1ccccc1
SPLASH splash10-0udi-0900000000-1eea0f7d54906a858b0e
Source of Spectrum Y-24-1708-17
Synonyms [2-(2-furyl)-4-methyl-6-nitro-chroman-3-yl]-phenyl-methanone [2-(furan-2-yl)-4-methyl-6-nitro-3,4-dihydro-2H-chromen-3-yl]-phenyl-methanone
Wiley ID 1350281