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Bicyclo[2.2.1]heptan-2-one, 7-(1,1-dimethylethyl)-, anti-
SpectraBase Compound ID K3M35NOFx94
InChI InChI=1S/C11H18O/c1-11(2,3)10-7-4-5-8(10)9(12)6-7/h7-8,10H,4-6H2,1-3H3/t7-,8+,10?/m0/s1
InChIKey GTIIRGWIPFIANF-VLCSVPMDSA-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 B2JNuY2B1zk
Name Bicyclo[2.2.1]heptan-2-one, 7-(1,1-dimethylethyl)-, anti-
CAS Registry Number 92973-86-9
Comments Less than 3 mono-isotopic peaks
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Formula C11H18O
InChI InChI=1S/C11H18O/c1-11(2,3)10-7-4-5-8(10)9(12)6-7/h7-8,10H,4-6H2,1-3H3/t7-,8+,10?/m0/s1
InChIKey GTIIRGWIPFIANF-VLCSVPMDSA-N
Molecular Weight 166.264 g/mol
SMILES C1([C@@]2(C(C(C)(C)C)[C@](C1)(CC2)[H])[H])=O
SPLASH splash10-0aor-0900000000-455d7f2a3122629c2404
Source of Spectrum I-62-1762-0
Synonyms Bicyclo[2.2.1]heptan-2-one, 7-(1,1-dimethylethyl)-, syn- 7-tert-butylbicyclo[2.2.1]heptan-2-one Anti-7-tert-butylbicyclo[2.2.1]heptan-2-one syn-7-tert-butylbicyclo[2.2.1]heptan-2-one
Wiley ID 1163001