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(2S,4R,5S)-2-Ethyl-5-methoxycarbonyl-4-methyl-5-hexanolide
SpectraBase Compound ID Aqi1yr7RkCL
InChI InChI=1S/C11H18O4/c1-5-8-6-7(2)11(3,10(13)14-4)15-9(8)12/h7-8H,5-6H2,1-4H3/t7-,8+,11+/m1/s1
InChIKey XEPUYMRJQFAOBW-FYBVGQRMSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JatvFgCjDVL
Name (2S,4R,5S)-2-Ethyl-5-methoxycarbonyl-4-methyl-5-hexanolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-5-8-6-7(2)11(3,10(13)14-4)15-9(8)12/h7-8H,5-6H2,1-4H3/t7-,8+,11+/m1/s1
InChIKey XEPUYMRJQFAOBW-FYBVGQRMSA-N
Molecular Weight 214.261 g/mol
SMILES [C@]1(OC([C@](C[C@]1(C)[H])(CC)[H])=O)(C(=O)OC)C
SPLASH splash10-0a6r-0900000000-81b97344527983099aa0
Source of Spectrum AJ-67-3097-11
Wiley ID 772839