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Bicyclo[4.1.0]heptan-2-one, 4-(1,1-dimethylethyl)-, [1R-(1.alpha.,4.beta.,6.alpha.)]-
SpectraBase Compound ID 1VsDWDvVxbh
InChI InChI=1S/C11H18O/c1-11(2,3)8-4-7-5-9(7)10(12)6-8/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey RTIGFCCVNSWQST-VGMNWLOBSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AR6lcHD8ZKE
Name Bicyclo[4.1.0]heptan-2-one, 4-(1,1-dimethylethyl)-, [1R-(1.alpha.,4.beta.,6.alpha.)]-
CAS Registry Number 125413-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-11(2,3)8-4-7-5-9(7)10(12)6-8/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey RTIGFCCVNSWQST-VGMNWLOBSA-N
Molecular Weight 166.264 g/mol
SMILES [C@@]12([C@](C(=O)C[C@](C2)(C(C)(C)C)[H])([H])C1)[H]
SPLASH splash10-0bt9-9200000000-d1fb0cf61dbf2a7973f0
Source of Spectrum J-55-2059-9
Synonyms (1S,4S,6R)-4-(1,1-dimethylethyl)bicyclo[4.1.0]heptan-2-one (1S,4S,6R)-4-tert-butylbicyclo[4.1.0]heptan-2-one
Wiley ID 1163110