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N,2-Dimethoxy-5-[(1Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-5-(2-oxo-1,3- oxazolidin-3-yl)pent-1-en-1-yl]-3-methylbenzenecarboximidoyl Fluoride
SpectraBase Compound ID E6tvgjnhfEV
InChI InChI=1S/C27H30FN3O6/c1-16-12-18(14-21(23(16)33-3)25(28)29-35-5)20(8-6-7-9-31-10-11-36-27(31)32)19-13-17(2)24-22(15-19)26(34-4)30-37-24/h8,12-15H,6-7,9-11H2,1-5H3/b20-8+,29-25?
InChIKey SPKOPVIEGDDMKO-OJLZICFASA-N
Mol Weight 511.55 g/mol
Molecular Formula C27H30FN3O6
Exact Mass 511.211864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wl8hwwpwxg
Name N,2-Dimethoxy-5-[(1Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-5-(2-oxo-1,3- oxazolidin-3-yl)pent-1-en-1-yl]-3-methylbenzenecarboximidoyl Fluoride
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30FN3O6
InChI InChI=1S/C27H30FN3O6/c1-16-12-18(14-21(23(16)33-3)25(28)29-35-5)20(8-6-7-9-31-10-11-36-27(31)32)19-13-17(2)24-22(15-19)26(34-4)30-37-24/h8,12-15H,6-7,9-11H2,1-5H3/b20-8+,29-25?
InChIKey SPKOPVIEGDDMKO-OJLZICFASA-N
Ionization Type EI
Molecular Weight 511.550 g/mol
Reported Formula C27H30FN3O6
SMILES c1c(c(c(cc1\C(=C/CCCN1CCOC1=O)c1cc2c(c(c1)C)onc2OC)C)OC)C(F)=NOC
SPLASH splash10-0zml-3409200000-0d8ab88d7950624e555d
Source of Spectrum US20170267667A1
Wiley ID 1866109