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(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-buten-1-one
SpectraBase Compound ID L1uqK9dySKi
InChI InChI=1S/C13H20O/c1-4-5-11(14)12-9-6-7-10(8-9)13(12,2)3/h4-5,9-10,12H,6-8H2,1-3H3/b5-4+/t9-,10-,12-/m0/s1
InChIKey ORBOWLOCAXSDDS-NVJIEBLHSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiZoMh2O23Q
Name (E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-buten-1-one
CAS Registry Number 101469-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-4-5-11(14)12-9-6-7-10(8-9)13(12,2)3/h4-5,9-10,12H,6-8H2,1-3H3/b5-4+/t9-,10-,12-/m0/s1
InChIKey ORBOWLOCAXSDDS-NVJIEBLHSA-N
Molecular Weight 192.302 g/mol
SMILES C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(C(\C=C\C)=O)[H])(C)C
SPLASH splash10-014l-9300000000-0b9a4a5025ed76ca1713
Source of Spectrum AH-116-811-14
Synonyms (E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)but-2-en-1-one (E)-1-(3,3-dimethylnorbornan-2-yl)but-2-en-1-one
Wiley ID 1188955