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2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(1-oxo-2-butenyl)-, [R-(E)]-
SpectraBase Compound ID EOIdY6vzeX9
InChI InChI=1S/C13H18O3/c1-5-6-11(15)13(16)9(2)7-10(14)8-12(13,3)4/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1
InChIKey GQIBCYYNCXRCNG-URWSZGRFSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0Yj3gTIoKS
Name 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(1-oxo-2-butenyl)-, [R-(E)]-
Alternate Name(s) (4R)-4-[(2E)-2-butenoyl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one 3-keto-6-hydroxy-.alpha.-damascone
CAS Registry Number 56083-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-5-6-11(15)13(16)9(2)7-10(14)8-12(13,3)4/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1
InChIKey GQIBCYYNCXRCNG-URWSZGRFSA-N
Molecular Weight 222.284 g/mol
SMILES O[C@]1(C(=CC(CC1(C)C)=O)C)C(\C=C\C)=O
SPLASH splash10-0gb9-9600000000-15fb5f87657a4fffc9cb
Source of Spectrum H-56-2032-6
Wiley ID 1222525