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(3R,4aS,8aS)-2,5,5,8a-tetramethyl-3-prop-2-ynoxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
SpectraBase Compound ID EByM9DIahGd
InChI InChI=1S/C18H26O3/c1-6-10-21-13-11-14-17(3,4)8-7-9-18(14,5)15(12(13)2)16(19)20/h1,13-14H,7-11H2,2-5H3,(H,19,20)/t13-,14+,18+/m1/s1
InChIKey DKYKAFWFPQJSKC-GLJUWKHASA-N
Mol Weight 290.4 g/mol
Molecular Formula C18H26O3
Exact Mass 290.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DuXMktLszW9
Name (3R,4aS,8aS)-2,5,5,8a-tetramethyl-3-prop-2-ynoxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Alternate Name(s) (3R,4aS,8aS)-2,5,5,8a-tetramethyl-3-propargyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O3
InChI InChI=1S/C18H26O3/c1-6-10-21-13-11-14-17(3,4)8-7-9-18(14,5)15(12(13)2)16(19)20/h1,13-14H,7-11H2,2-5H3,(H,19,20)/t13-,14+,18+/m1/s1
InChIKey DKYKAFWFPQJSKC-GLJUWKHASA-N
Molecular Weight 290.403 g/mol
SMILES OC(C1=C([C@@](C[C@]2(C(CCC[C@]12C)(C)C)[H])(OCC#C)[H])C)=O
SPLASH splash10-014j-0980000000-2c4a266ab3931cf32080
Source of Spectrum KC-61-1965-15
Wiley ID 1627895