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(1S*,5S*,7S*,8R*)-7-Methyltricyclo[6.3.0.0(1,5)]undec-3-en-2-one
SpectraBase Compound ID J2YPfrsaWIU
InChI InChI=1S/C12H16O/c1-8-7-9-4-5-11(13)12(9)6-2-3-10(8)12/h4-5,8-10H,2-3,6-7H2,1H3/t8-,9+,10+,12+/m0/s1
InChIKey AUFKZCLZKAMHHT-BTQIBKBOSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUzy71y15o7
Name (1S*,5S*,7S*,8R*)-7-Methyltricyclo[6.3.0.0(1,5)]undec-3-en-2-one
Alternate Name(s) (3aS,5S,5aR,8aS)-5-methyl-4,5,5a,6,7,8-hexahydrocyclopenta[c]pentalen-1(3aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-8-7-9-4-5-11(13)12(9)6-2-3-10(8)12/h4-5,8-10H,2-3,6-7H2,1H3/t8-,9+,10+,12+/m0/s1
InChIKey AUFKZCLZKAMHHT-BTQIBKBOSA-N
Literature Reference DOI 10.1002/hlca.19810640417
Molecular Weight 176.259 g/mol
SMILES C1[C@]2([C@@]3(CC1)[C@@](C[C@@]2(C)[H])(C=CC3=O)[H])[H]
SPLASH splash10-00di-3900000000-3516d39335d58b0376a1
Source of Spectrum H-64-1131-16
Wiley ID 1797564