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3-Nitro-9,10-dihydro-9,10-ethanoanthracene-9-carboxylic acid
SpectraBase Compound ID 5ZTmG2zzJ5u
InChI InChI=1S/C17H13NO4/c19-16(20)17-8-7-11(12-3-1-2-4-14(12)17)13-9-10(18(21)22)5-6-15(13)17/h1-6,9,11H,7-8H2,(H,19,20)
InChIKey SRJCFAJOXPFFJV-UHFFFAOYSA-N
Mol Weight 295.29 g/mol
Molecular Formula C17H13NO4
Exact Mass 295.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByscvAHntlJ
Name 3-Nitro-9,10-dihydro-9,10-ethanoanthracene-9-carboxylic acid
Alternate Name(s) 5-Nitrotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
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Formula C17H13NO4
InChI InChI=1S/C17H13NO4/c19-16(20)17-8-7-11(12-3-1-2-4-14(12)17)13-9-10(18(21)22)5-6-15(13)17/h1-6,9,11H,7-8H2,(H,19,20)
InChIKey SRJCFAJOXPFFJV-UHFFFAOYSA-N
Molecular Weight 295.294 g/mol
SMILES OC(C12c3c(cc(N(=O)=O)cc3)C(CC1)c1c2cccc1)=O
SPLASH splash10-014i-0190000000-69950b958243a643d15d
Source of Spectrum B-49-1279-0
Wiley ID 1298236