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LEPTOSPHAERONE-A
SpectraBase Compound ID 8D0yzZV3VBs
InChI InChI=1S/C8H12O3/c1-5-3-6(9)8(2,11)7(10)4-5/h3,7,10-11H,4H2,1-2H3/t7-,8-/m1/s1
InChIKey JPANATRWCFTRDD-HTQZYQBOSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tAuFWwYM4a
Name (5R,6S)-3,6-dimethyl-5,6-bis(oxidanyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-5-3-6(9)8(2,11)7(10)4-5/h3,7,10-11H,4H2,1-2H3/t7-,8-/m1/s1
InChIKey JPANATRWCFTRDD-HTQZYQBOSA-N
Molecular Weight 156.181 g/mol
SMILES O[C@@]1(CC(=CC([C@]1(O)C)=O)C)[H]
SPLASH splash10-00e9-9200000000-9c3e4879cd7e86dd3836
Source of Spectrum X2-56-1649-1
Synonyms (5R,6S)-5,6-dihydroxy-3,6-dimethyl-1-cyclohex-2-enone (5R,6S)-5,6-dihydroxy-3,6-dimethyl-cyclohex-2-en-1-one
Wiley ID 1605095