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Rosmarinic acid

View entire compound with spectra: 6 NMR, 2 FTIR, and 2 MS (GC)

Rosmarinic acid
SpectraBase Compound ID 3Fsktxi4mIZ
InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
InChIKey DOUMFZQKYFQNTF-WUTVXBCWSA-N
Mol Weight 360.32 g/mol
Molecular Formula C18H16O8
Exact Mass 360.084517 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID HPL9l4XuFAm
Name Rosmarinic acid
Source of Sample Aldrich
Catalog Number 536954
CAS Registry Number 20283-92-5
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O8
InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
InChIKey DOUMFZQKYFQNTF-WUTVXBCWSA-N
Purity 96%
Synonyms (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid 3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester
Wiley ID SIAL_ATR-IR_020913