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2-(7-nitro-8-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)acetic acid methyl ester
SpectraBase Compound ID 42Ugx88ZgZ5
InChI InChI=1S/C14H13NO4/c1-19-13(16)9-12-7-6-10-4-2-3-5-11(8-10)14(12)15(17)18/h2-7H,8-9H2,1H3
InChIKey YGIISHJPUGBKMI-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C14H13NO4
Exact Mass 259.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6bZYADFqS9
Name 2-(7-nitro-8-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)acetic acid methyl ester
Alternate Name(s) Methyl 2-(7-nitro-8-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)acetate Methyl 2-(7-nitro-8-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)ethanoate
CAS Registry Number 118684-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO4
InChI InChI=1S/C14H13NO4/c1-19-13(16)9-12-7-6-10-4-2-3-5-11(8-10)14(12)15(17)18/h2-7H,8-9H2,1H3
InChIKey YGIISHJPUGBKMI-UHFFFAOYSA-N
Molecular Weight 259.261 g/mol
SMILES C=1(N(=O)=O)C(=CC=C2CC1C=CC=C2)CC(=O)OC
SPLASH splash10-01ry-0930000000-84d2a15f722b446980bd
Source of Spectrum K-122-495-0
Wiley ID 1262692