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(2-Acetoxybenzoic acid-4-nitrooxymethyl)phenyl ester
SpectraBase Compound ID 6CnByYVvlD1
InChI InChI=1S/C16H13NO7/c1-11(18)23-15-5-3-2-4-14(15)16(19)24-13-8-6-12(7-9-13)10-22-17(20)21/h2-9H,10H2,1H3
InChIKey CTHNKWFUDCMLIQ-UHFFFAOYSA-N
Mol Weight 331.28 g/mol
Molecular Formula C16H13NO7
Exact Mass 331.069202 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID CqVrhbMZYQW
Name (2-Acetoxybenzoic acid-4-nitrooxymethyl)phenyl ester
Source of Sample Indofine Chemical Company, Inc.
Catalog Number 19-877
Lot Number 0510087
Accessory DurasamplIR II
CAS Registry Number 287118-97-2
Classification nitric oxide-donating form of aspirin
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO7
InChI InChI=1S/C16H13NO7/c1-11(18)23-15-5-3-2-4-14(15)16(19)24-13-8-6-12(7-9-13)10-22-17(20)21/h2-9H,10H2,1H3
InChIKey CTHNKWFUDCMLIQ-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Melting Point 90.0 - 92.0 °C
Source of Spectrum Forensic Spectral Research
Synonyms NO-aspirin; NCX 4040
Technique ATR-Neat (DuraSamplIR II)