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trans-3-tert-Butyl-4-methylcycloheptanones
SpectraBase Compound ID 7AuCVjmPasi
InChI InChI=1S/C12H22O/c1-9-6-5-7-10(13)8-11(9)12(2,3)4/h9,11H,5-8H2,1-4H3/t9-,11-/m1/s1
InChIKey FHYLPBPCQCEOOU-MWLCHTKSSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV5VSQIp2Hy
Name trans-3-tert-Butyl-4-methylcycloheptanones
Alternate Name(s) (3R,4R)-3-tert-butyl-4-methylcycloheptanone
CAS Registry Number 71837-62-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-9-6-5-7-10(13)8-11(9)12(2,3)4/h9,11H,5-8H2,1-4H3/t9-,11-/m1/s1
InChIKey FHYLPBPCQCEOOU-MWLCHTKSSA-N
Molecular Weight 182.307 g/mol
SMILES [C@]1(C(C)(C)C)(CC(=O)CCC[C@]1(C)[H])[H]
SPLASH splash10-0bt9-6900000000-328e1c7cd6c4869ed39f
Source of Spectrum J-44-4486-0
Wiley ID 1179115