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2-((ethoxycarbonyl)oxy)ethyl 2-(3,3-dimethylcyclohexyl)propanoate
SpectraBase Compound ID IDqs1SPWtTX
InChI InChI=1S/C16H28O5/c1-5-19-15(18)21-10-9-20-14(17)12(2)13-7-6-8-16(3,4)11-13/h12-13H,5-11H2,1-4H3
InChIKey WACCBZABRBLNLS-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C16H28O5
Exact Mass 300.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OSHzteqNyV
Name 2-((ethoxycarbonyl)oxy)ethyl 2-(3,3-dimethylcyclohexyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O5
InChI InChI=1S/C16H28O5/c1-5-19-15(18)21-10-9-20-14(17)12(2)13-7-6-8-16(3,4)11-13/h12-13H,5-11H2,1-4H3
InChIKey WACCBZABRBLNLS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Molecular Weight 300.395 g/mol
SMILES C(C)OC(=O)OCCOC(C(C)C1CC(CCC1)(C)C)=O
SPLASH splash10-0udi-4900000000-7f5362f752fb53de50cc
Sample Comments Isomer 1, dr = 1:1
Source of Spectrum JPWO2019124533A1
Wiley ID 1879758