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2-Hydroxy-2-methylpropane-1,3-diyl 1-((E)-2'-methyl-2-butenoate) 3-isobutyrate
SpectraBase Compound ID JnpsBgqERRR
InChI InChI=1S/C13H22O5/c1-6-10(4)12(15)18-8-13(5,16)7-17-11(14)9(2)3/h6,9,16H,7-8H2,1-5H3/b10-6+
InChIKey OKORSLZRBKUOCN-UXBLZVDNSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pFvMMqKOvd
Name 2-Hydroxy-2-methylpropane-1,3-diyl 1-((E)-2'-methyl-2-butenoate) 3-isobutyrate
Alternate Name(s) 2-Butenoic acid, 2-methyl-, 2-hydroxy-2-methyl-3-(2-methyl-1-oxopropoxy)propyl ester, (E)- 2-Hydroxy-3-(isobutyryloxy)-2-methylpropyl (2E)-2-methyl-2-butenoate
CAS Registry Number 80508-61-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-6-10(4)12(15)18-8-13(5,16)7-17-11(14)9(2)3/h6,9,16H,7-8H2,1-5H3/b10-6+
InChIKey OKORSLZRBKUOCN-UXBLZVDNSA-N
Molecular Weight 258.314 g/mol
SMILES OC(COC(=O)C(C)C)(C)COC(\C(=C\C)C)=O
SPLASH splash10-008c-9000000000-1d7ba511bc4a1c406771
Source of Spectrum LQ-1992-3915-0
Wiley ID 1261557