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2-Methyltetracyclo(6.4.0.0)dodecan-3-one
SpectraBase Compound ID DJKJh1fCqZR
InChI InChI=1S/C13H18O/c1-6-8-3-2-7-4-10(8)11-5-9(7)12(11)13(6)14/h6-12H,2-5H2,1H3/t6?,7-,8+,9-,10-,11+,12+/m0/s1
InChIKey JQYOJSPOMTYAFC-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AE2hF4N0VBX
Name 2-Methyltetracyclo(6.4.0.0)dodecan-3-one
CAS Registry Number 72708-52-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-6-8-3-2-7-4-10(8)11-5-9(7)12(11)13(6)14/h6-12H,2-5H2,1H3/t6?,7-,8+,9-,10-,11+,12+/m0/s1
InChIKey JQYOJSPOMTYAFC-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES [C@]12(C(C(C)[C@@]3([C@]4([C@]2(C[C@]1([C@](C4)(CC3)[H])[H])[H])[H])[H])=O)[H]
SPLASH splash10-0006-7900000000-ad219d7c740e8ce39514
Source of Spectrum J-45-990-0
Synonyms 2-Methyltetracyclo(6.4.0.00dodecan-3-one 7-Methyltetracyclo[6.4.0.0(2,5).0(4,11)]dodecan-6-one
Wiley ID 1186998