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cis-4-(1,1-Dimethylethyl)-2-(hydroxymethyl)cyclohexanone
SpectraBase Compound ID 5dHQThhiJcq
InChI InChI=1S/C11H20O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey SZZDTDNPGYRNHA-DTWKUNHWSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCrPahdq2Pw
Name cis-4-(1,1-Dimethylethyl)-2-(hydroxymethyl)cyclohexanone
CAS Registry Number 94537-80-1
Comments Less than 3 mono-isotopic peaks
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Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey SZZDTDNPGYRNHA-DTWKUNHWSA-N
Molecular Weight 184.279 g/mol
SMILES OC[C@]1(C(CC[C@](C1)(C(C)(C)C)[H])=O)[H]
SPLASH splash10-0a4i-9000000000-eaff9ccc0025eca0ac19
Source of Spectrum C-107-2082-0
Synonyms (2S,4R)-4-tert-butyl-2-(hydroxymethyl)cyclohexanone
Wiley ID 1180937