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TRANS-DIEPOXYTHYMOQUINONE;TRANS-2,3:5,6-DIEPOXY-2-METHYL-5-(1-METHYLETHYL)-CYCLOHEXANE-1,4-DIONE;[1-ALPHA,3-BETA,5-BETA,7-ALPHA]-1-METHYL-5-
SpectraBase Compound ID 40ylctyGn0y
InChI InChI=1S/C10H12O4/c1-4(2)10-6(12)7-9(3,13-7)5(11)8(10)14-10/h4,7-8H,1-3H3/t7-,8+,9+,10-/m0/s1
InChIKey RHGXZACMTTVVHM-JLIMGVALSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EPh9uE1oZv
Name 4,8-Dioxatricyclo[5.1.0.03,5]octane-2,6-dione, 1-methyl-5-(1-methylethyl)-, (1.alpha.,3.beta.,5.beta.,7.alpha.)-(.+-.)-
Alternate Name(s) (1R,3R,5S,7S)-1-isopropyl-5-methyl-4,8-dioxatricyclo[5.1.0.0(3,5)]octane-2,6-dione trans-2,3:5,6-diepoxy-2-methyl-5-(1-methylethyl)cyclohexane-1,4-dione [1.alpha.,3.beta.,5.beta.,7.alpha.]-1-methyl-5-(1-methylethyl)-4,8-dioxatricyclo[5.1.0.0(3,5)]octane-2,6-dione
CAS Registry Number 125589-81-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-4(2)10-6(12)7-9(3,13-7)5(11)8(10)14-10/h4,7-8H,1-3H3/t7-,8+,9+,10-/m0/s1
InChIKey RHGXZACMTTVVHM-JLIMGVALSA-N
Molecular Weight 196.202 g/mol
SMILES [C@@]12([C@](C(=O)[C@@]3([C@](C2=O)(O3)[H])C)([H])O1)C(C)C
SPLASH splash10-0006-9000000000-faadfc70793f5ee68a1f
Source of Spectrum B-42-1152-4
Wiley ID 1192836