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(1R(*),4R(*)-4-Methyl-2,6-dioxobicyclo[3.2.1]octane-1-carbonitrile
SpectraBase Compound ID LdWWIPDK2Sl
InChI InChI=1S/C10H11NO2/c1-6-2-9(13)10(5-11)3-7(6)8(12)4-10/h6-7H,2-4H2,1H3/t6-,7-,10+/m1/s1
InChIKey PLHSBZLMJWDWFL-XSSZXYGBSA-N
Mol Weight 177.2 g/mol
Molecular Formula C10H11NO2
Exact Mass 177.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DUVZQBueBC
Name (1R(*),4R(*)-4-Methyl-2,6-dioxobicyclo[3.2.1]octane-1-carbonitrile
CAS Registry Number 130472-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c1-6-2-9(13)10(5-11)3-7(6)8(12)4-10/h6-7H,2-4H2,1H3/t6-,7-,10+/m1/s1
InChIKey PLHSBZLMJWDWFL-XSSZXYGBSA-N
Molecular Weight 177.203 g/mol
SMILES [C@]12(C[C@@](C(C2)=O)([C@@](CC1=O)(C)[H])[H])C#N
SPLASH splash10-001j-9200000000-d8cf4e084de11b106351
Source of Spectrum KC-1990-1394-13
Synonyms (1S,4R)-4-methyl-2,6-dioxobicyclo[3.2.1]octane-1-carbonitrile
Wiley ID 1173191