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5-Benzyloxycarbonyl-3-methoxycarbonyl-4-trifluoromethyl-1-(terthydropyranyloxyethyl)pyrrole-2-acetic acid methyl ester
SpectraBase Compound ID ABWeV1xi0eK
InChI InChI=1S/C25H28F3NO8/c1-33-18(30)14-17-20(23(31)34-2)21(25(26,27)28)22(24(32)37-15-16-8-4-3-5-9-16)29(17)11-13-36-19-10-6-7-12-35-19/h3-5,8-9,19H,6-7,10-15H2,1-2H3
InChIKey ZGZCIZVMTOHDNQ-UHFFFAOYSA-N
Mol Weight 527.49 g/mol
Molecular Formula C25H28F3NO8
Exact Mass 527.176701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FTxLSmCVnE
Name 5-Benzyloxycarbonyl-3-methoxycarbonyl-4-trifluoromethyl-1-(terthydropyranyloxyethyl)pyrrole-2-acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28F3NO8
InChI InChI=1S/C25H28F3NO8/c1-33-18(30)14-17-20(23(31)34-2)21(25(26,27)28)22(24(32)37-15-16-8-4-3-5-9-16)29(17)11-13-36-19-10-6-7-12-35-19/h3-5,8-9,19H,6-7,10-15H2,1-2H3
InChIKey ZGZCIZVMTOHDNQ-UHFFFAOYSA-N
Molecular Weight 527.493 g/mol
SMILES c1(c(c(CC(=O)OC)[n](c1C(OCc1ccccc1)=O)CCOC1OCCCC1)C(=O)OC)C(F)(F)F
SPLASH splash10-000f-9000000000-8b4c98b807474d76d904
Source of Spectrum O1-63-2074-5
Wiley ID 1592799