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cis- and trans-2,2-Dimethyl-3-(2-methyl-1-propyl)-1-methoxycyclopropane-1-carbonitrile
SpectraBase Compound ID 1LyqCS3lunE
InChI InChI=1S/C11H19NO/c1-8(2)6-9-10(3,4)11(9,7-12)13-5/h8-9H,6H2,1-5H3/t9-,11-/m0/s1
InChIKey ZRFKSJNVKLSLCX-ONGXEEELSA-N
Mol Weight 181.28 g/mol
Molecular Formula C11H19NO
Exact Mass 181.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APMKCE1Y04u
Name cis- and trans-2,2-Dimethyl-3-(2-methyl-1-propyl)-1-methoxycyclopropane-1-carbonitrile
CAS Registry Number 78715-40-9
Comments Less than 3 mono-isotopic peaks
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Formula C11H19NO
InChI InChI=1S/C11H19NO/c1-8(2)6-9-10(3,4)11(9,7-12)13-5/h8-9H,6H2,1-5H3/t9-,11-/m0/s1
InChIKey ZRFKSJNVKLSLCX-ONGXEEELSA-N
Molecular Weight 181.279 g/mol
SMILES [C@]1(C(C)(C)[C@@]1(CC(C)C)[H])(C#N)OC
SPLASH splash10-00di-0900000000-d22e472d864bbec6bd79
Source of Spectrum J-46-4337-0
Synonyms (1S,3S)-3-isobutyl-1-methoxy-2,2-dimethylcyclopropanecarbonitrile
Wiley ID 1177583