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3-Heptenoic acid, 5-hydroxy-2,6,6-trimethyl-, [R*,R*-(E)]-
SpectraBase Compound ID Adut52ycSN1
InChI InChI=1S/C10H18O3/c1-7(9(12)13)5-6-8(11)10(2,3)4/h5-8,11H,1-4H3,(H,12,13)/b6-5+
InChIKey LLNCWVMOHIVBDA-AATRIKPKSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KT5lDSaLQtL
Name 3-HEPTENOIC ACID, 5-HYDROXY-2,6,6-TRIMETHYL-, [R*,R*-(E)]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7(9(12)13)5-6-8(11)10(2,3)4/h5-8,11H,1-4H3,(H,12,13)/b6-5+
InChIKey LLNCWVMOHIVBDA-AATRIKPKSA-N
Molecular Weight 186.1251
SMILES OC(\C=C\C(C(O)=O)C)C(C)(C)C
SPLASH splash10-0bt9-9400000000-7e8dd48cae5fac8f4784
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany