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rel-(1S,3aR,7S,7aR)-1,2,3,6,7,7a-hexahydro-1,7-dimethyl-7,3a-(epoxymethano)-3aH-inden-9-one
SpectraBase Compound ID ChEdWHyucy1
InChI InChI=1S/C12H16O2/c1-8-4-7-12-6-3-5-11(2,9(8)12)10(13)14-12/h3,6,8-9H,4-5,7H2,1-2H3/t8-,9+,11-,12-/m0/s1
InChIKey JBJNWFWUUDULAI-QCMRWSPLSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID glYcFmLFo8
Name rel-(1S,3aR,7S,7aR)-1,2,3,6,7,7a-hexahydro-1,7-dimethyl-7,3a-(epoxymethano)-3aH-inden-9-one
Alternate Name(s) (1R,4S,5R,6R)-4,6-dimethyl-10-oxatricyclo[4.3.2.0(1,5)]undec-8-en-11-one
CAS Registry Number 85647-17-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8-4-7-12-6-3-5-11(2,9(8)12)10(13)14-12/h3,6,8-9H,4-5,7H2,1-2H3/t8-,9+,11-,12-/m0/s1
InChIKey JBJNWFWUUDULAI-QCMRWSPLSA-N
Molecular Weight 192.258 g/mol
SMILES [C@@]123OC(=O)[C@@]([C@]3([C@@](C)(CC1)[H])[H])(C)CC=C2
SPLASH splash10-052f-7900000000-be6b34cf45fcacb989e4
Source of Spectrum J-53-3213-24
Wiley ID 1188732