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Phenethyl caffeiate
SpectraBase Compound ID D4sws4UFb3q
InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
InChIKey SWUARLUWKZWEBQ-VQHVLOKHSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 7KZ00jNQSpX
Name Phenethyl caffeiate
Source of Sample Cayman Chemical Company
Catalog Number 70750
Lot Number 0463793-14
Accessory DurasamplIR II
Acronyms CAPE
Apodization Function Triangular
CAS Registry Number 104594-70-9
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4
IUPAC Name (E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 2-phenylethyl ester
InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
InChIKey SWUARLUWKZWEBQ-VQHVLOKHSA-N
Instrument Name Bio-Rad FTS
SMILES Oc1c(ccc(c1)\C=C\C(OCCc1ccccc1)=O)O
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 2-Phenylethyl caffeate; β-Phenylethyl caffeate
Technique ATR-Neat