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XL092
SpectraBase Compound ID 5tssBRNAH5I
InChI InChI=1S/C29H25FN4O5/c1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37)
InChIKey JSPCKALGNNVYOO-UHFFFAOYSA-N
Mol Weight 528.54 g/mol
Molecular Formula C29H25FN4O5
Exact Mass 528.180898 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3gEmbGJM018
Name XL092
Source of Sample Cayman Chemical Company
Catalog Number 37749
Lot Number 0688959-1
Accessory DurasamplIR II
CAS Registry Number 2367004-54-2
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.180898079 u
Formula C29H25FN4O5
InChI InChI=1S/C29H25FN4O5/c1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37)
InChIKey JSPCKALGNNVYOO-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 528.540 g/mol
Purity ≥98%
Resolution 4
SMILES C1(CC1)(C(=O)NC=1C=CC(=CC1)F)C(=O)NC=1C=CC(=CC1)OC1=CC=NC2=CC(=C(C=C12)C(=O)NC)OC
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms N-(4-fluorophenyl)-N′-[4-[[7-methoxy-6-[(methylamino)carbonyl]-4-quinolinyl]oxy]phenyl]-1,1-cyclopropanedicarboxamide Zanzalintinib
Technique ATR-Neat