For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
ROSMARINIC-ACID-METHYLESTER
SpectraBase Compound ID Bet3OxQqUuo
InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
InChIKey XHALVRQBZGZHFE-BBOMDTFKSA-N
Mol Weight 374.35 g/mol
Molecular Formula C19H18O8
Exact Mass 374.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 80QeiVNZXs7
Name Methyl rosmarinate
Appearance Colorless amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O8
InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
InChIKey XHALVRQBZGZHFE-BBOMDTFKSA-N
Instrument Name Finnigan MAT 12
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2021.101324
Molecular Weight 374.345 g/mol
Optical Rotation [a]D22 = +139 (c = 0.55, MeOH)
Reported Formula C19H18O8
SMILES Oc1c(cc(\C=C\C(O[C@](Cc2ccc(c(c2)O)O)(C(OC)=O)[H])=O)cc1)O
SPLASH splash10-0096-1900000000-b0bf1d63fe8be9c4a3c7
Source of Spectrum SCS-25-SM5-10
Wiley ID 1879634