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DL-Atrolactic acid hemihydrate

View entire compound with spectra: 2 NMR, and 1 FTIR

DL-Atrolactic acid hemihydrate
SpectraBase Compound ID IKOOlmVKbNU
InChI InChI=1S/2C9H10O3.O/c2*1-9(12,8(10)11)7-5-3-2-4-6-7;/h2*2-6,12H,1H3,(H,10,11);
InChIKey QAQVGHSFGUMYOR-UHFFFAOYSA-N
Mol Weight 348.35 g/mol
Molecular Formula C18H20O7
Exact Mass 348.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Uh4LZ4SmDO
Name DL-Atrolactic acid hemihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number A93208
CAS Registry Number 515-30-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O7
InChI InChI=1S/2C9H10O3.O/c2*1-9(12,8(10)11)7-5-3-2-4-6-7;/h2*2-6,12H,1H3,(H,10,11);
InChIKey QAQVGHSFGUMYOR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Hydroxy-2-phenylpropionic acid hemihydrate 2-Phenyllactic acid
Wiley ID SIAL_13CNMR_010780