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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 J6o5V6dK076
Name 3-Heptenoic acid, 5-hydroxy-2,6,6-trimethyl-, [R*,R*-(E)]-
Alternate Name(s) (3E)-5-Hydroxy-2,6,6-trimethyl-3-heptenoic acid (E)-2,6,6-trimethyl-5-oxidanyl-hept-3-enoic acid (E)-5-hydroxy-2,6,6-trimethyl-3-heptenoic acid (E)-5-hydroxy-2,6,6-trimethyl-hept-3-enoic acid
CAS Registry Number 110678-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 186.251 g/mol
SMILES OC(C(\C=C\C(C(C)(C)C)O)C)=O
SPLASH splash10-0bt9-9400000000-f91bc8b7cbe7ab85f30c
Wiley ID 1488432