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BICYCLO[3.1.1]HEPTAN-3-ONE, 6,6-DIMETHYL-2-(2-OXOBUTYL)-, (DIASTEREOMERES)
SpectraBase Compound ID 3kr64KauMwZ
InChI InChI=1S/C13H20O2/c1-4-9(14)7-10-11-5-8(6-12(10)15)13(11,2)3/h8,10-11H,4-7H2,1-3H3/t8-,10?,11+/m1/s1
InChIKey IVQLMXVJWFENQU-WUQUSSCSSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZ84mHaQSgo
Name BICYCLO[3.1.1]HEPTAN-3-ONE, 6,6-DIMETHYL-2-(2-OXOBUTYL)-, (DIASTEREOMERES)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-4-9(14)7-10-11-5-8(6-12(10)15)13(11,2)3/h8,10-11H,4-7H2,1-3H3/t8-,10?,11+/m1/s1
InChIKey IVQLMXVJWFENQU-WUQUSSCSSA-N
Instrument Name 8230
Molecular Weight 208.1458
SMILES C1(CC(=O)CC)C(=O)C[C@]2(C[C@@]1(C2(C)C)[H])[H]
SPLASH splash10-0a4i-9300000000-6e0c6820bcd1ff4a0e2b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany