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3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone
SpectraBase Compound ID LXNg86pLrVi
InChI InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11)
InChIKey WSLYCILIEOFQPK-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81Ea7fYaGYW
Name cis-Cyclo-L-prolyl-L-alanine
CAS Registry Number 36357-32-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11)
InChIKey WSLYCILIEOFQPK-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference I.Z. Siemion, Org. Magn. Resonance 8, 432 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6