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(1'R(*),2'S(*),2"S(*))-[2'-(2",3"-epoxypropyl)-2'-methylcyclohexyl]propanedinitrile
SpectraBase Compound ID 60WYqnqDBCU
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+/m0/s1
InChIKey DPHJWTDMVAPCFM-QJPTWQEYSA-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 3WcWT8LS6jh
Name (1'R(*),2'S(*),2"S(*))-[2'-(2",3"-epoxypropyl)-2'-methylcyclohexyl]propanedinitrile
CAS Registry Number 131616-91-6
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+/m0/s1
InChIKey DPHJWTDMVAPCFM-QJPTWQEYSA-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 splash10-0002-9610000000-ef5a0d82cefec7931a32
Source of Spectrum B-43-1320-17
Synonyms (1'R(*),2'S(*),2''R(*))-[2'-(2'',3''-epoxypropyl)-2'-methylcyclohexyl]propanedinitrile 2-[(1R,2S)-2-methylcyclohexyl]-2-[(2R)-oxiranylmethyl]malononitrile
Wiley ID 1217840