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(1'R(*),2'R(*),2"R(*))-[2'-(2",3"-epoxypropyl)-2'-methylcyclohexy]propanedinitrile
SpectraBase Compound ID Cp58ompL6in
InChI InChI=1S/C13H18N2O/c1-10-4-2-3-5-12(10)13(8-14,9-15)6-11-7-16-11/h10-12H,2-7H2,1H3/t10-,11-,12-/m1/s1
InChIKey DPHJWTDMVAPCFM-IJLUTSLNSA-N
Mol Weight 218.3 g/mol
Molecular Formula C13H18N2O
Exact Mass 218.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqW8NHvLB2U
Name (1'R(*),2'R(*),2"R(*))-[2'-(2",3"-epoxypropyl)-2'-methylcyclohexy]propanedinitrile
Alternate Name(s) (1'R(*),2'R(*),2''S(*))-[2'-(2'',3''-epoxypropyl)-2'-methylcyclohexyl]propanedinitrile 2-[(1R,2R)-2-methylcyclohexyl]-2-[(2R)-oxiranylmethyl]malononitrile
CAS Registry Number 131581-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O
InChI InChI=1S/C13H18N2O/c1-10-4-2-3-5-12(10)13(8-14,9-15)6-11-7-16-11/h10-12H,2-7H2,1H3/t10-,11-,12-/m1/s1
InChIKey DPHJWTDMVAPCFM-IJLUTSLNSA-N
Molecular Weight 218.300 g/mol
SMILES C(C#N)(C#N)([C@]1([C@](C)(CCCC1)[H])[H])C[C@]1(OC1)[H]
SPLASH splash10-052b-9710000000-bbebee033c64300cedbc
Source of Spectrum B-43-1320-20
Wiley ID 1217841