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2-(5-nitro-2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)acetic acid methyl ester
SpectraBase Compound ID D5ZySpwx5il
InChI InChI=1S/C14H13NO4/c1-19-14(16)9-11-6-7-13(15(17)18)12-5-3-2-4-10(11)8-12/h2-7H,8-9H2,1H3
InChIKey NNEMSTNWBKPFKI-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 Hj1t3J3snlD
Name 2-(5-nitro-2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)acetic acid methyl ester
Alternate Name(s) Methyl 2-(5-nitro-2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)acetate Methyl 2-(5-nitro-2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)ethanoate
CAS Registry Number 118684-48-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO4
InChI InChI=1S/C14H13NO4/c1-19-14(16)9-11-6-7-13(15(17)18)12-5-3-2-4-10(11)8-12/h2-7H,8-9H2,1H3
InChIKey NNEMSTNWBKPFKI-UHFFFAOYSA-N
Molecular Weight 259.261 g/mol
SMILES C1(N(=O)=O)=C2CC(C=CC=C2)=C(C=C1)CC(=O)OC
SPLASH splash10-054o-3950000000-46b77a38dbd8934dccc3
Source of Spectrum K-122-496-0
Wiley ID 1262693