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1,4-Benzodioxan-5-carboxylic acid

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1,4-Benzodioxan-5-carboxylic acid
SpectraBase Compound ID CvuURxxQkcy
InChI InChI=1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11)
InChIKey VCLSWKVAHAJSFL-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID DIQgr0kbllt
Name 1,4-Benzodioxan-5-carboxylic acid
Source of Sample Acros Organics
Catalog Number 399610010
Lot Number A0278116
CAS Registry Number 4442-53-9
Color Properties White to beige
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11)
InChIKey VCLSWKVAHAJSFL-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 180.159 g/mol
Physical State Solid
Purity 98%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)