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3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, [R-(E)]-
SpectraBase Compound ID FlLe80dRV3a
InChI InChI=1S/C13H20O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h6-7,12,15H,5,8H2,1-4H3/b7-6+/t12-/m1/s1
InChIKey LXYKLYXWNYMBKQ-NNNHXZLVSA-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 3GHNUtnx1iN
Name 3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, [R-(E)]-
CAS Registry Number 73174-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h6-7,12,15H,5,8H2,1-4H3/b7-6+/t12-/m1/s1
InChIKey LXYKLYXWNYMBKQ-NNNHXZLVSA-N
Molecular Weight 208.301 g/mol
SMILES O[C@]1(C(C(\C=C\C(=O)C)=C(CC1)C)(C)C)[H]
SPLASH splash10-054o-2900000000-d282d3f4a4f54c16ad5d
Source of Spectrum H-72-499-10
Synonyms (3E)-4-[(5R)-5-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one (5'R)-4-(5'-hydroxy-2',6',6'-trimethylcyclohex-1'-enyl)but-3-en-2-one
Wiley ID 1207240