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3-Carboxy-2-phenylselenomethyl.gamma.-butyrolactone
SpectraBase Compound ID I6oTQMuhMUQ
InChI InChI=1S/C12H12O4Se/c13-11(14)9-6-16-12(15)10(9)7-17-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)
InChIKey YHQSBBWXFCXVRG-UHFFFAOYSA-N
Mol Weight 299.2 g/mol
Molecular Formula C12H12O4Se
Exact Mass 299.990081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 617aLLnbdTZ
Name 3-Carboxy-2-phenylselenomethyl.gamma.-butyrolactone
Comments C13 LABELLED AT POSITION 4, C4 ABSORBS AT 69.0 PPM(J=154 HZ) IN THE MINOR DIASTEREOISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12O4Se
InChI InChI=1S/C12H12O4Se/c13-11(14)9-6-16-12(15)10(9)7-17-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)
InChIKey YHQSBBWXFCXVRG-UHFFFAOYSA-N
Literature Reference P. Dowd, R. Hershline, J. Chem. Soc. Perkin II 61 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6