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(+/-)-ROSEMARINIC-ACID-BENZYLESTER
SpectraBase Compound ID L9JzGrnTXMy
InChI InChI=1S/C25H22O8/c26-19-9-6-16(12-21(19)28)8-11-24(30)33-23(14-18-7-10-20(27)22(29)13-18)25(31)32-15-17-4-2-1-3-5-17/h1-13,23,26-29H,14-15H2/b11-8+
InChIKey NRZZGGCSMHSHME-DHZHZOJOSA-N
Mol Weight 450.44 g/mol
Molecular Formula C25H22O8
Exact Mass 450.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7M5flvSinAt
Name (phenylmethyl) 3-[3,4-bis(oxidanyl)phenyl]-2-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-propanoate
Alternate Name(s) 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid (phenylmethyl) ester 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid benzyl ester benzyl 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoate
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Formula C25H22O8
InChI InChI=1S/C25H22O8/c26-19-9-6-16(12-21(19)28)8-11-24(30)33-23(14-18-7-10-20(27)22(29)13-18)25(31)32-15-17-4-2-1-3-5-17/h1-13,23,26-29H,14-15H2/b11-8+
InChIKey NRZZGGCSMHSHME-DHZHZOJOSA-N
Molecular Weight 450.443 g/mol
SMILES Oc1cc(\C=C\C(OC(Cc2ccc(c(c2)O)O)C(OCc2ccccc2)=O)=O)ccc1O
SPLASH splash10-00di-0910000000-1047e5e5fcb26933f33a
Source of Spectrum AH-128-1007-10
Wiley ID 1387694