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rel-(1S,3aR,7S,7aR)-1,2,3,6,7,7a-hexahydro-7-methoxy-1-methyl-7,3a-(epoxymethano)-3aH-inden-9-one
SpectraBase Compound ID CT8CpQnQ2yh
InChI InChI=1S/C12H16O3/c1-8-4-7-11-5-3-6-12(14-2,9(8)11)15-10(11)13/h3,6,8-9H,4-5,7H2,1-2H3/t8-,9+,11-,12-/m0/s1
InChIKey FNKUTHMQZOITSZ-QCMRWSPLSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ilv2LHsRLpo
Name rel-(1S,3aR,7S,7aR)-1,2,3,6,7,7a-hexahydro-7-methoxy-1-methyl-7,3a-(epoxymethano)-3aH-inden-9-one
Alternate Name(s) (1R,4S,5R,6S)-6-methoxy-4-methyl-11-oxatricyclo[4.3.2.0(1,5)]undec-7-en-10-one
CAS Registry Number 114837-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-8-4-7-11-5-3-6-12(14-2,9(8)11)15-10(11)13/h3,6,8-9H,4-5,7H2,1-2H3/t8-,9+,11-,12-/m0/s1
InChIKey FNKUTHMQZOITSZ-QCMRWSPLSA-N
Molecular Weight 208.257 g/mol
SMILES [C@@]12(OC(=O)[C@@]3([C@]2([C@](CC3)(C)[H])[H])CC=C1)OC
SPLASH splash10-0a4i-2900000000-82cf030f9e98698939d4
Source of Spectrum J-53-3214-24
Wiley ID 1206904