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2-Propenoic acid, 3-(2,2,3-trimethyl-6-methylenecyclohexyl)-, [1.alpha.(E),3.alpha.]-(.+-.)-
SpectraBase Compound ID Abu3lBK3lYl
InChI InChI=1S/C13H20O2/c1-9-5-6-10(2)13(3,4)11(9)7-8-12(14)15/h7-8,10-11H,1,5-6H2,2-4H3,(H,14,15)/b8-7+/t10-,11+/m1/s1
InChIKey PJWBQYAKILSDCZ-SFEFJYQLSA-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 7yIO9UNt3Q8
Name 2-Propenoic acid, 3-(2,2,3-trimethyl-6-methylenecyclohexyl)-, [1.alpha.(E),3.alpha.]-(.+-.)-
CAS Registry Number 122046-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-5-6-10(2)13(3,4)11(9)7-8-12(14)15/h7-8,10-11H,1,5-6H2,2-4H3,(H,14,15)/b8-7+/t10-,11+/m1/s1
InChIKey PJWBQYAKILSDCZ-SFEFJYQLSA-N
Molecular Weight 208.301 g/mol
SMILES OC(\C=C\[C@@]1(C([C@](C)(CCC1=C)[H])(C)C)[H])=O
SPLASH splash10-053u-9200000000-e2136e9820aadf70eb4d
Source of Spectrum H-71-623-9
Synonyms (+-)-(2E)-3-{cis-2',2',3'-Trimethyl-6'-methylidenecyclohex-1'-yl)-2-propenoic acid (2E)-3-[(1S,3R)-2,2,3-trimethyl-6-methylenecyclohexyl]-2-propenoic acid
Wiley ID 1207239