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(1R(*),4R(*))-4-Allyloxymethyl-2,6-dioxobicyclo[3.2.1]octane-1-carbonitrile
SpectraBase Compound ID D4sie3ZU6SG
InChI InChI=1S/C13H15NO3/c1-2-3-17-7-9-4-12(16)13(8-14)5-10(9)11(15)6-13/h2,9-10H,1,3-7H2/t9-,10?,13+/m0/s1
InChIKey HDNDJMFEQRORIH-BOURZNODSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxvfmWeiYfr
Name (1R(*),4R(*))-4-Allyloxymethyl-2,6-dioxobicyclo[3.2.1]octane-1-carbonitrile
CAS Registry Number 130472-24-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-2-3-17-7-9-4-12(16)13(8-14)5-10(9)11(15)6-13/h2,9-10H,1,3-7H2/t9-,10?,13+/m0/s1
InChIKey HDNDJMFEQRORIH-BOURZNODSA-N
Molecular Weight 233.267 g/mol
SMILES [C@@]12(CC(C(C2)=O)[C@@](CC1=O)(COCC=C)[H])C#N
SPLASH splash10-004i-3900000000-c9430cca81accc26ef74
Source of Spectrum KC-1990-1398-13
Synonyms (1R,4R)-4-[(allyloxy)methyl]-2,6-dioxobicyclo[3.2.1]octane-1-carbonitrile
Wiley ID 1234910