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(1RS,2RS,4SR)-(1,2,4-trimethyl-3-oxobicyclo[2.2.2]oct-5-en-2-yl)acetaldehyde
SpectraBase Compound ID IcNFSmrCub5
InChI InChI=1S/C13H18O2/c1-11-4-6-12(2,7-5-11)13(3,8-9-14)10(11)15/h4,6,9H,5,7-8H2,1-3H3/t11-,12+,13+/m0/s1
InChIKey QPAAAGRJHIXEFE-YNEHKIRRSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpLUCEu25fb
Name (1RS,2RS,4SR)-(1,2,4-trimethyl-3-oxobicyclo[2.2.2]oct-5-en-2-yl)acetaldehyde
Alternate Name(s) (1RS,3RS,4SR)-(1,2,4-trimethyl-3-oxobicyclo[2.2.2]oct-5-en-2-yl)acetaldehyde (1,2,4-trimethyl-3-oxobicyclo[2.2.2]oct-5-en-2-yl)acetaldehyde
CAS Registry Number 124016-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-11-4-6-12(2,7-5-11)13(3,8-9-14)10(11)15/h4,6,9H,5,7-8H2,1-3H3/t11-,12+,13+/m0/s1
InChIKey QPAAAGRJHIXEFE-YNEHKIRRSA-N
Molecular Weight 206.285 g/mol
SMILES [C@@]1(C([C@]2(C)CC[C@]1(C=C2)C)=O)(CC=O)C
SPLASH splash10-0a4l-6900000000-f8e3b8f10509562c8ee3
Source of Spectrum H-72-587-26
Wiley ID 1204726