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Methyl 3R-hydroxy-3-(4-hydroxyphenyl)propanoate
SpectraBase Compound ID AgvvHK82arQ
InChI InChI=1S/C10H12O4/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5,9,11-12H,6H2,1H3/t9-/m1/s1
InChIKey YYHBTEPLBAGPQB-SECBINFHSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENjdlp69J3Q
Name Methyl 3R-hydroxy-3-(4-hydroxyphenyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5,9,11-12H,6H2,1H3/t9-/m1/s1
InChIKey YYHBTEPLBAGPQB-SECBINFHSA-N
Instrument Name Waters Autospec Premier P776
Ionization Type EI
Literature Reference DOI 10.1021/np400971r
Molecular Weight 196.202 g/mol
Optical Rotation [a]D16 = +11 (c = 0.1, MeOH)
SMILES Oc1ccc([C@@](CC(OC)=O)(O)[H])cc1
SPLASH splash10-00dj-0900000000-0c73eab9934d0f25f4ad
Source of Spectrum G4-77-891-891-2
Wiley ID 1865791