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5-AZA-7-BROMO-4-OXO-3-THIAHEPTANOIC ACID, METHYL ESTER
SpectraBase Compound ID 6zqDB91t4qp
InChI InChI=1S/C6H10BrNO3S/c1-11-5(9)4-12-6(10)8-3-2-7/h2-4H2,1H3,(H,8,10)
InChIKey ITODVWCLBMSUEY-UHFFFAOYSA-N
Mol Weight 256.11 g/mol
Molecular Formula C6H10BrNO3S
Exact Mass 254.956477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IiEoNjzIxOS
Name 5-AZA-7-BROMO-4-OXO-3-THIAHEPTANOIC ACID, METHYL ESTER
Comments 96
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H10BrNO3S
InChI InChI=1S/C6H10BrNO3S/c1-11-5(9)4-12-6(10)8-3-2-7/h2-4H2,1H3,(H,8,10)
InChIKey ITODVWCLBMSUEY-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.A.NEDOLYA, N.P.PAPSHEVA, A.V.AFONIN, V.A.KUKHAREVA, T.V.KASHIK, B.A.TROFIMOV(1993) Izv.Akad.Nauk SSSR(Russ. Lang.): N2, 350-354.
NMR Standard HMDS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6