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HFRZSVYKDDZRQY-QRGHLMKCSA-N
SpectraBase Compound ID 8IoLGudPsyX
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+/t11-/m0/s1
InChIKey HFRZSVYKDDZRQY-QRGHLMKCSA-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 DpBk75mYXTQ
Name (3E)-4-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one
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/h5-6,11,15H,7-8H2,1-4H3/b6-5+/t11-/m0/s1
InChIKey HFRZSVYKDDZRQY-QRGHLMKCSA-N
Molecular Weight 208.301 g/mol
SMILES O[C@@]1(CC(C(=C(C1)C)\C=C\C(=O)C)(C)C)[H]
SPLASH splash10-0006-3900000000-c087ed77fa41ee472445
Source of Spectrum X3-59-71-1
Synonyms (E)-4-[(4S)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]but-3-en-2-one (E)-4-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3-buten-2-one (E)-4-[(4S)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]but-3-en-2-one
Wiley ID 1606145