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3-Buten-2-one, 4-(1-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-, [R-(E)]-
SpectraBase Compound ID 8BLWoyfVAou
InChI InChI=1S/C13H20O2/c1-10-6-5-8-12(3,4)13(10,15)9-7-11(2)14/h6-7,9,15H,5,8H2,1-4H3/b9-7+/t13-/m0/s1
InChIKey LUIHIYPHXZXPRG-XOVSCCBYSA-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 A5TcTwF71C1
Name 3-Buten-2-one, 4-(1-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-, [R-(E)]-
CAS Registry Number 38030-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10-6-5-8-12(3,4)13(10,15)9-7-11(2)14/h6-7,9,15H,5,8H2,1-4H3/b9-7+/t13-/m0/s1
InChIKey LUIHIYPHXZXPRG-XOVSCCBYSA-N
Molecular Weight 208.301 g/mol
SMILES O[C@@]1(\C=C\C(=O)C)C(=CCCC1(C)C)C
SPLASH splash10-0a4l-4900000000-1faab8d5fd3f75eb62e7
Source of Spectrum H-64-2687-0
Synonyms (-)-(S)-6-hydroxy-.alpha.-ionone (3E)-4-[(1R)-1-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl]-3-buten-2-one
Wiley ID 1207120