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(1R*,5R*,8R*,9S*)-9-Methyltricyclo[6.3.0.0(1,5)]undec-3-en-2-one
SpectraBase Compound ID Klb9kQHcqi5
InChI InChI=1S/C12H16O/c1-8-6-7-12-9(2-4-10(8)12)3-5-11(12)13/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9+,10+,12-/m0/s1
InChIKey AAUVSUFUUUKJEX-XNDJQWLSSA-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 5QZ9uQDuPI5
Name (1R*,5R*,8R*,9S*)-9-Methyltricyclo[6.3.0.0(1,5)]undec-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-8-6-7-12-9(2-4-10(8)12)3-5-11(12)13/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9+,10+,12-/m0/s1
InChIKey AAUVSUFUUUKJEX-XNDJQWLSSA-N
Literature Reference DOI 10.1002/hlca.19810640417
Molecular Weight 176.259 g/mol
SMILES C1[C@]2([C@@]3([C@](C1)(C=CC3=O)[H])CC[C@@]2(C)[H])[H]
SPLASH splash10-000i-3900000000-c83c5a0e254a16400ae5
Source of Spectrum H-64-1131-15
Synonyms (3aR,5aR,6S,8aR)-6-methyl-4,5,5a,6,7,8-hexahydrocyclopenta[c]pentalen-1(3aH)-one
Wiley ID 1797563