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(1R*,3R*,7S*)-3-Methyl-3-(phenyl)methylbicyclo[5.1.0]octan-2-one
SpectraBase Compound ID KpsNUkndcx
InChI InChI=1S/C16H20O/c1-16(11-12-6-3-2-4-7-12)9-5-8-13-10-14(13)15(16)17/h2-4,6-7,13-14H,5,8-11H2,1H3/t13-,14+,16+/m0/s1
InChIKey LZGJFVVFUUDTQK-SQWLQELKSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRmyMf15NKW
Name (1R*,3R*,7S*)-3-Methyl-3-(phenyl)methylbicyclo[5.1.0]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O
InChI InChI=1S/C16H20O/c1-16(11-12-6-3-2-4-7-12)9-5-8-13-10-14(13)15(16)17/h2-4,6-7,13-14H,5,8-11H2,1H3/t13-,14+,16+/m0/s1
InChIKey LZGJFVVFUUDTQK-SQWLQELKSA-N
Molecular Weight 228.335 g/mol
SMILES [C@@]12(C[C@@]2(CCC[C@@](C1=O)(Cc1ccccc1)C)[H])[H]
SPLASH splash10-0006-7900000000-79fdf1870755b1321003
Source of Spectrum F-54-2680-25
Synonyms (1R,3R,7S)-3-benzyl-3-methylbicyclo[5.1.0]octan-2-one
Wiley ID 806196