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Bicyclo[2.2.2]oct-5-en-2-one, 3-(3-hydroxypropyl)-1,3,4-trimethyl-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID FutQKbOQvOI
InChI InChI=1S/C14H22O2/c1-12-6-8-13(2,9-7-12)14(3,11(12)16)5-4-10-15/h6,8,15H,4-5,7,9-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKey HCJJFYSWEQVVOO-RDBSUJKOSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Qa9k3bfbsB
Name Bicyclo[2.2.2]oct-5-en-2-one, 3-(3-hydroxypropyl)-1,3,4-trimethyl-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
CAS Registry Number 124017-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-12-6-8-13(2,9-7-12)14(3,11(12)16)5-4-10-15/h6,8,15H,4-5,7,9-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKey HCJJFYSWEQVVOO-RDBSUJKOSA-N
Molecular Weight 222.328 g/mol
SMILES OCCC[C@]1(C([C@@]2(C)CC[C@@]1(C=C2)C)=O)C
SPLASH splash10-0a4l-5900000000-cc256ee5308f6b18f124
Source of Spectrum H-72-589-43
Synonyms (1RS,3RS,4SR)-3-(3'-hydroxypropyl)-1,3,4-trimethylbicyclo[2.2.2]oct-5-en-2-one (1S,3R,4R)-3-(3-hydroxypropyl)-1,3,4-trimethylbicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1222915