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

*Links on SpectraBase are not permalinks.
2-[2-bromo-4-[(E)-(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetic acid
SpectraBase Compound ID E84RljGhOst
InChI InChI=1S/C19H15BrN2O6/c1-27-15-9-11(8-14(20)17(15)28-10-16(23)24)7-13-18(25)21-22(19(13)26)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,25)(H,23,24)/b13-7+
InChIKey CCFQPHIAIYSESN-NTUHNPAUSA-N
Mol Weight 447.24 g/mol
Molecular Formula C19H15BrN2O6
Exact Mass 446.011349 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 IoPYdPpbY7S
Name 2-[2-bromo-4-[(E)-(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15BrN2O6
InChI InChI=1S/C19H15BrN2O6/c1-27-15-9-11(8-14(20)17(15)28-10-16(23)24)7-13-18(25)21-22(19(13)26)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,25)(H,23,24)/b13-7+
InChIKey CCFQPHIAIYSESN-NTUHNPAUSA-N
Molecular Weight 447.241 g/mol
SMILES N1N(C(\C(=C\c2cc(c(OCC(=O)O)c(c2)Br)OC)C1=O)=O)c1ccccc1
SPLASH splash10-002b-8952300000-752346f03f111da8c71f
Synonyms 2-[2-bromo-4-[(E)-(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-methoxyphenoxy]acetic acid 2-[2-bromo-4-[(E)-(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetic acid 2-[4-[(E)-[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-6-methoxy-phenoxy]ethanoic acid
Wiley ID 1454760