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1,4-Dioxaspiro[4.5]decane-8,8-dicarbonitrile, 7-(2,6-dimethoxy-4-pentylphenyl)-, (.+-.)-
SpectraBase Compound ID ECKM59a1rqf
InChI InChI=1S/C23H30N2O4/c1-4-5-6-7-17-12-19(26-2)21(20(13-17)27-3)18-14-23(28-10-11-29-23)9-8-22(18,15-24)16-25/h12-13,18H,4-11,14H2,1-3H3
InChIKey YLKAKMMLZQFSTQ-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GB5xUP1sQvv
Name 1,4-Dioxaspiro[4.5]decane-8,8-dicarbonitrile, 7-(2,6-dimethoxy-4-pentylphenyl)-, (.+-.)-
CAS Registry Number 81482-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O4
InChI InChI=1S/C23H30N2O4/c1-4-5-6-7-17-12-19(26-2)21(20(13-17)27-3)18-14-23(28-10-11-29-23)9-8-22(18,15-24)16-25/h12-13,18H,4-11,14H2,1-3H3
InChIKey YLKAKMMLZQFSTQ-UHFFFAOYSA-N
Molecular Weight 398.503 g/mol
SMILES c1(C2C(C#N)(C#N)CCC3(C2)OCCO3)c(cc(cc1OC)CCCCC)OC
SPLASH splash10-01p2-8906000000-7093ee8b355fe48d636e
Source of Spectrum I-60-315-0
Synonyms 2-(2,2-Dicyano-5-ethylenedioxycyclohexyl)-1,3-dimethoxy-5-pentylbenzene 7-(2,6-dimethoxy-4-pentylphenyl)-1,4-dioxaspiro[4.5]decane-8,8-dicarbonitrile
Wiley ID 1368483