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2-Butenoic acid, 2-methyl-, 3-(2-methyl-1-oxopropoxy)butyl ester, (Z)-(-)-
SpectraBase Compound ID CsLQQtYY7vy
InChI InChI=1S/C13H22O4/c1-6-10(4)13(15)16-8-7-11(5)17-12(14)9(2)3/h6,9,11H,7-8H2,1-5H3/b10-6-
InChIKey BDTJNBVLLRMSAI-POHAHGRESA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3CIVO0MbkE
Name 2-Butenoic acid, 2-methyl-, 3-(2-methyl-1-oxopropoxy)butyl ester, (Z)-(-)-
Alternate Name(s) (-)-Butane-1,3-diyl 1-((Z)-2'-methyl-2'-butenoate 3-isobutyrate 3-(isobutyryloxy)butyl (2Z)-2-methyl-2-butenoate
CAS Registry Number 80500-84-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-6-10(4)13(15)16-8-7-11(5)17-12(14)9(2)3/h6,9,11H,7-8H2,1-5H3/b10-6-
InChIKey BDTJNBVLLRMSAI-POHAHGRESA-N
Molecular Weight 242.315 g/mol
SMILES C(OC(CCOC(\C(=C/C)C)=O)C)(=O)C(C)C
SPLASH splash10-001l-9100000000-64edd782eb541df96c30
Source of Spectrum H-64-2399-0
Wiley ID 1244927