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Atrolactic acid, hemihydrate
SpectraBase Compound ID GAtqefHTQ8Y
InChI InChI=1S/2C9H10O3.H2O/c2*1-9(12,8(10)11)7-5-3-2-4-6-7;/h2*2-6,12H,1H3,(H,10,11);1H2
InChIKey BCZRQUYXNLVFOZ-UHFFFAOYSA-N
Mol Weight 175.18 g/mol
Molecular Formula C9H10O3·½H2O
Exact Mass 175.068277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41QZvCnZhPc
Name DL-alpha-METHYLMANDELIC ACID, HEMIHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 515-30-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O3 H2O
InChI InChI=1S/2C9H10O3.H2O/c2*1-9(12,8(10)11)7-5-3-2-4-6-7;/h2*2-6,12H,1H3,(H,10,11);1H2
InChIKey BCZRQUYXNLVFOZ-UHFFFAOYSA-N
Melting Point 87-91C
Molecular Weight 192.19
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms MANDELIC ACID, A-METHYL-, HEMI- HYDRATE, DL-, ATROLACTIC ACID, HEMIHYDRATE, DL-,