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(+/-)-TETRA-O-ACETYL-ROSEMARINIC-ACID-METHYLESTER
SpectraBase Compound ID 9k9KN7mIZMS
InChI InChI=1S/C27H26O12/c1-15(28)35-21-9-6-19(12-23(21)37-17(3)30)8-11-26(32)39-25(27(33)34-5)14-20-7-10-22(36-16(2)29)24(13-20)38-18(4)31/h6-13,25H,14H2,1-5H3/b11-8+
InChIKey FMWPITULLNHVNQ-DHZHZOJOSA-N
Mol Weight 542.49 g/mol
Molecular Formula C27H26O12
Exact Mass 542.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jTlbtIlKDo
Name (+/-)-TETRA-O-ACETYL-ROSEMARINIC-ACID-METHYLESTER
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26O12
InChI InChI=1S/C27H26O12/c1-15(28)35-21-9-6-19(12-23(21)37-17(3)30)8-11-26(32)39-25(27(33)34-5)14-20-7-10-22(36-16(2)29)24(13-20)38-18(4)31/h6-13,25H,14H2,1-5H3/b11-8+
InChIKey FMWPITULLNHVNQ-DHZHZOJOSA-N
Literature Reference Author E.REIMANN,H.J.MAAS,T.PFLUG
Literature Reference Citation MH.CHEM.,128,995(1997)
Literature Reference DOI 10.1007/BF00806966
Molecular Weight 542.496 g/mol
Solvent CDCl3
Source File Reference UWRK2835