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trans-1,2,3,4,4a,5,6,8a-Octahydro-4a-cyano-1,1-dimethyl-6,6-ethylenedioxynaphthalene
SpectraBase Compound ID KANnMTXQtri
InChI InChI=1S/C15H21NO2/c1-13(2)5-3-6-14(11-16)10-15(7-4-12(13)14)17-8-9-18-15/h4,7,12H,3,5-6,8-10H2,1-2H3/t12-,14+/m1/s1
InChIKey QAXYJHCNXGQNLK-OCCSQVGLSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkzR7YctTUt
Name trans-1,2,3,4,4a,5,6,8a-Octahydro-4a-cyano-1,1-dimethyl-6,6-ethylenedioxynaphthalene
CAS Registry Number 71886-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-13(2)5-3-6-14(11-16)10-15(7-4-12(13)14)17-8-9-18-15/h4,7,12H,3,5-6,8-10H2,1-2H3/t12-,14+/m1/s1
InChIKey QAXYJHCNXGQNLK-OCCSQVGLSA-N
Molecular Weight 247.338 g/mol
SMILES [C@@]12([C@](C=CC3(C2)OCCO3)(C(C)(C)CCC1)[H])C#N
SPLASH splash10-0udi-0930000000-252c3f27b5c7934de308
Source of Spectrum J-45-229-0
Synonyms (4'aR,8'aR)-5',5'-dimethyl-4'a,5',6',7',8',8'a-hexahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalene]-8'a-carbonitrile (4'aR,8'aR)-1',1'-dimethyl-4'a-spiro[1,3-dioxolane-2,6'-3,4,5,8a-tetrahydro-2H-naphthalene]carbonitrile
Wiley ID 1250136