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Ritanserin
SpectraBase Compound ID 2qXs0um0kYm
InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
InChIKey JUQLTPCYUFPYKE-UHFFFAOYSA-N
Mol Weight 477.57 g/mol
Molecular Formula C27H25F2N3OS
Exact Mass 477.16864 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID GJktr5iW1i1
Name Ritanserin
Source of Sample Cayman Chemical Company
Catalog Number 21374
Lot Number 0563149-14
Accessory DurasamplIR II
CAS Registry Number 87051-43-2
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.168639936 u
Formula C27H25F2N3OS
InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
InChIKey JUQLTPCYUFPYKE-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 477.574 g/mol
Purity ≥95%
Resolution 4
SMILES C12=NC(=C(C(N2C=CS1)=O)CCN1CCC(CC1)=C(C=1C=CC(=CC1)F)C=1C=CC(=CC1)F)C
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one R-55-667
Technique ATR-Neat