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(S)-2-[(E)-3-(3,4-Diacetoxy-5-methoxy-phenyl)-acryloyloxy]-succinic acid di-tert-butyl ester
SpectraBase Compound ID 95aaq9bmYuA
InChI InChI=1S/C26H34O11/c1-15(27)33-19-13-17(12-18(32-9)23(19)34-16(2)28)10-11-21(29)35-20(24(31)37-26(6,7)8)14-22(30)36-25(3,4)5/h10-13,20H,14H2,1-9H3/b11-10+/t20-/m0/s1
InChIKey NYZDLZOXNPHBBW-CFGKVWFZSA-N
Mol Weight 522.5 g/mol
Molecular Formula C26H34O11
Exact Mass 522.210112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uQDrX2EVFW
Name (S)-2-[(E)-3-(3,4-Diacetoxy-5-methoxy-phenyl)-acryloyloxy]-succinic acid di-tert-butyl ester
Alternate Name(s) 3,4-Diacetoxy-5-methoxycinnamoyl-di-tert-butyl Malate Ester (2S)-2-[(E)-3-(3,4-diacetyloxy-5-methoxyphenyl)-1-oxoprop-2-enoxy]butanedioic acid ditert-butyl ester ditert-butyl (2S)-2-[(E)-3-(3,4-diacetyloxy-5-methoxyphenyl)prop-2-enoyl]oxybutanedioate ditert-butyl (2S)-2-[(E)-3-(3,4-diacetoxy-5-methoxy-phenyl)prop-2-enoyl]oxybutanedioate ditert-butyl (2S)-2-[(E)-3-(3,4-diacetyloxy-5-methoxy-phenyl)prop-2-enoyl]oxybutanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C26H34O11
InChI InChI=1S/C26H34O11/c1-15(27)33-19-13-17(12-18(32-9)23(19)34-16(2)28)10-11-21(29)35-20(24(31)37-26(6,7)8)14-22(30)36-25(3,4)5/h10-13,20H,14H2,1-9H3/b11-10+/t20-/m0/s1
InChIKey NYZDLZOXNPHBBW-CFGKVWFZSA-N
Molecular Weight 522.547 g/mol
SMILES c1(c(OC(=O)C)cc(\C=C\C(O[C@](C(OC(C)(C)C)=O)(CC(OC(C)(C)C)=O)[H])=O)cc1OC)OC(=O)C
SPLASH splash10-001r-0000900000-41c8382819f21774f111
Source of Spectrum F4-41-F-24
Wiley ID 1672860