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3-Nonen-2-one, 8-hydroxy-5-(1-hydroxy-1-methylethyl)-8-methyl-, [S-(E)]-
SpectraBase Compound ID H4HcRGJHQjC
InChI InChI=1S/C13H24O3/c1-10(14)6-7-11(13(4,5)16)8-9-12(2,3)15/h6-7,11,15-16H,8-9H2,1-5H3/b7-6+/t11-/m1/s1
InChIKey NRIDKBYVIAFGHT-XUIVZRPNSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaN8VrViIzm
Name 3-Nonen-2-one, 8-hydroxy-5-(1-hydroxy-1-methylethyl)-8-methyl-, [S-(E)]-
CAS Registry Number 90395-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-10(14)6-7-11(13(4,5)16)8-9-12(2,3)15/h6-7,11,15-16H,8-9H2,1-5H3/b7-6+/t11-/m1/s1
InChIKey NRIDKBYVIAFGHT-XUIVZRPNSA-N
Molecular Weight 228.332 g/mol
SMILES OC([C@@](CCC(O)(C)C)(\C=C\C(=O)C)[H])(C)C
SPLASH splash10-052e-9200000000-2f94cb66ccbaac704c74
Source of Spectrum H-67-27-0
Synonyms (3E,5S)-8-hydroxy-5-(1-hydroxy-1-methylethyl)-8-methyl-3-nonen-2-one (5S,E)-8-hydroxy-5-(1-hydroxy-1-methylethyl)-8-methyl-3-nonen-2-one
Wiley ID 1229748