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5-cyanobicyclo[2.2.1]hept-2-ene-2,5-diyl diacetate
SpectraBase Compound ID KApgSxlFHyW
InChI InChI=1S/C12H13NO4/c1-7(14)16-11-4-10-3-9(11)5-12(10,6-13)17-8(2)15/h4,9-10H,3,5H2,1-2H3
InChIKey MXLGRIVOQCCDTQ-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HzvA21kEMW
Name 5-cyanobicyclo[2.2.1]hept-2-ene-2,5-diyl diacetate
Alternate Name(s) 5-(acetyloxy)-2-cyanobicyclo[2.2.1]hept-5-en-2-yl acetate
CAS Registry Number 126497-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-7(14)16-11-4-10-3-9(11)5-12(10,6-13)17-8(2)15/h4,9-10H,3,5H2,1-2H3
InChIKey MXLGRIVOQCCDTQ-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES C1(C2C=C(C(C1)C2)OC(=O)C)(C#N)OC(=O)C
SPLASH splash10-06si-9200000000-4ceb118dfb24ef4cc9de
Source of Spectrum H-72-1026-46
Wiley ID 1237004