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(3R,4aS,8aR)-3-Ethynyl-3,4,4a,7,8,8a-hexahydro-1,1,3,6-tetramethyl-1H-2-benzopyran
SpectraBase Compound ID 4IAUXOwPq4i
InChI InChI=1S/C15H22O/c1-6-15(5)10-12-9-11(2)7-8-13(12)14(3,4)16-15/h1,9,12-13H,7-8,10H2,2-5H3/t12-,13-,15+/m1/s1
InChIKey RXGQZBRMOTYBRS-NFAWXSAZSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LknnhDnFK2H
Name (3R,4aS,8aR)-3-Ethynyl-3,4,4a,7,8,8a-hexahydro-1,1,3,6-tetramethyl-1H-2-benzopyran
Alternate Name(s) (3R,4aS,8aR)-3-ethynyl-1,1,3,6-tetramethyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-6-15(5)10-12-9-11(2)7-8-13(12)14(3,4)16-15/h1,9,12-13H,7-8,10H2,2-5H3/t12-,13-,15+/m1/s1
InChIKey RXGQZBRMOTYBRS-NFAWXSAZSA-N
Literature Reference DOI 10.1002/hlca.19860690826
Molecular Weight 218.340 g/mol
SMILES C1C(C)=C[C@]2([H])C[C@](C)(C#C)OC(C)(C)[C@]2([H])C1
SPLASH splash10-0006-9100000000-0a75606bb0133e56129a
Source of Spectrum H-69-2037-25
Wiley ID 1794936