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Ethyl (E)-5-Hydroxy-2-(1-methylethyl)-3-hexenoate
SpectraBase Compound ID B5lGpxKNDjY
InChI InChI=1S/C11H20O3/c1-5-14-11(13)10(8(2)3)7-6-9(4)12/h6-10,12H,5H2,1-4H3/b7-6+/t9-,10+/m1/s1
InChIKey RTSFQEOUNYUYSJ-YJOJJWFDSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 305Uo4l26DO
Name Ethyl (E)-5-Hydroxy-2-(1-methylethyl)-3-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-5-14-11(13)10(8(2)3)7-6-9(4)12/h6-10,12H,5H2,1-4H3/b7-6+/t9-,10+/m1/s1
InChIKey RTSFQEOUNYUYSJ-YJOJJWFDSA-N
Literature Reference DOI 10.1021/jo300304n
Molecular Weight 200.278 g/mol
SMILES O[C@@](\C=C\[C@@](C(C)C)(C(OCC)=O)[H])(C)[H]
SPLASH splash10-0901-9800000000-b9e0bf13b48e56dac257
Source of Spectrum J-77-4961-7c
Synonyms (2R,5R,E)-ethyl 5-hydroxy-2-isopropylhex-3-enoate (E,2R,5R)-5-hydroxy-2-propan-2-yl-3-hexenoic acid ethyl ester Ethyl (E,2R,5R)-5-hydroxy-2-propan-2-ylhex-3-enoate Ethyl (E,2R,5R)-5-hydroxy-2-isopropyl-hex-3-enoate Ethyl (E,2R,5R)-5-oxidanyl-2-propan-2-yl-hex-3-enoate
Wiley ID 1745110