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4-OXO-BETA-IONOL;3-(3'-HYDROXY-1'-BUTENYL)-2,4,4-TRIMETHYL-2-CYCLOHEXEN-1-ONE
SpectraBase Compound ID GNPUGSP23
InChI InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,9,14H,7-8H2,1-4H3/b6-5+
InChIKey LWWWERIIOIAWQK-AATRIKPKSA-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 EBn1PbD835s
Name 2,4,4-trimethyl-3-[(E)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one
CAS Registry Number 29790-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,9,14H,7-8H2,1-4H3/b6-5+
InChIKey LWWWERIIOIAWQK-AATRIKPKSA-N
Molecular Weight 208.301 g/mol
SMILES OC(\C=C\C1=C(C(=O)CCC1(C)C)C)C
SPLASH splash10-066u-3900000000-fbb05b5d6cd214de2f39
Source of Spectrum H-61-2333-0
Synonyms 2-Cyclohexen-1-one, 3-(3-hydroxy-1-butenyl)-2,4,4-trimethyl- 3-[(E)-3-hydroxybut-1-enyl]-2,4,4-trimethyl-1-cyclohex-2-enone 3-[(E)-3-hydroxybut-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
Wiley ID 1207122