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ACETATE-CROTALIC-ACID
SpectraBase Compound ID 1f4IHy114D
InChI InChI=1S/C32H50O4/c1-19(2)21-9-10-23-22-11-12-25-29(6)15-14-26(36-20(3)33)28(4,5)24(29)13-16-31(25,8)30(22,7)17-18-32(21,23)27(34)35/h11,19,21,23-26H,9-10,12-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,26+,29?,30?,31?,32+/m0/s1
InChIKey BEXFSFAANNDQNF-VRTPYKCASA-N
Mol Weight 498.7 g/mol
Molecular Formula C32H50O4
Exact Mass 498.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fk6TySUbL8l
Name ACETATE-CROTALIC-ACID
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H50O4
InChI InChI=1S/C32H50O4/c1-19(2)21-9-10-23-22-11-12-25-29(6)15-14-26(36-20(3)33)28(4,5)24(29)13-16-31(25,8)30(22,7)17-18-32(21,23)27(34)35/h11,19,21,23-26H,9-10,12-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,26+,29?,30?,31?,32+/m0/s1
InChIKey BEXFSFAANNDQNF-VRTPYKCASA-N
Literature Reference Author B.AHMED,T.A.AL-HOWIRINY,J.S.MOSSA
Literature Reference Citation PHYTOCHEM.,67,956(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.02.019
Molecular Weight 498.747 g/mol
Sample ID 66229
Solvent CDCl3:CD3OD