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2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-
SpectraBase Compound ID 71wAPP8qhDs
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+
InChIKey MDCGEAGEQVMWPE-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 KNnfmSuhfkR
Name 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-
CAS Registry Number 34318-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+
InChIKey MDCGEAGEQVMWPE-AATRIKPKSA-N
Molecular Weight 208.301 g/mol
SMILES OC(C)\C=C\C1C(C)=CC(=O)CC1(C)C
SPLASH splash10-052f-9500000000-b38c44919ba942b2b06d
Source of Spectrum XW-407-0-0
Synonyms 3-Oxo-.alpha.-ionol 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, [R-[R*,R*-(E)]]- 3,5,5-trimethyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one 4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-1-cyclohex-2-enone 4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
Wiley ID 1207100