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6,8-Methano-3H-2-benzopyran-3-one, octahydro-7,7-dimethyl-, [4aR-(4a.alpha.,6.beta.,8.beta.,8a.alpha.)]-
SpectraBase Compound ID IKBuDDVYufa
InChI InChI=1S/C12H18O2/c1-12(2)8-3-7-4-11(13)14-6-9(7)10(12)5-8/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10+/m1/s1
InChIKey OOBSVWUDWGWEFP-KATARQTJSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cq0Lz3JF6hZ
Name 6,8-Methano-3H-2-benzopyran-3-one, octahydro-7,7-dimethyl-, [4aR-(4a.alpha.,6.beta.,8.beta.,8a.alpha.)]-
Alternate Name(s) (-)-(4aR,6S,8S,8aR)-7,7-dimethyl-6,8-methano-perhyroisochroman-3-one (-)-(4aR,6S,8S,8aS)-7,7-dimethyl-6,8-methano-perhydroisochroman-3-one (1S,2S,7R,9S)-10,10-dimethyl-4-oxatricyclo[7.1.1.0(2,7)]undecan-5-one
CAS Registry Number 86777-99-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-12(2)8-3-7-4-11(13)14-6-9(7)10(12)5-8/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10+/m1/s1
InChIKey OOBSVWUDWGWEFP-KATARQTJSA-N
Molecular Weight 194.274 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(C[C@]2([C@@]1(COC(=O)C2)[H])[H])[H])[H]
SPLASH splash10-00b9-6900000000-053569e51a28df14d564
Source of Spectrum H-66-1002-0
Wiley ID 1191068