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5-tert-Butyl-3-hydroxymethyl-5,7,9-triaza-2-oxa-8-thia-bicyclo(4.3.0)nona-6,9-dien-one
SpectraBase Compound ID QzkUS6koVh
InChI InChI=1S/C9H15N3O3S/c1-9(2,3)12-4-6(5-13)15-8-7(12)10-16(14)11-8/h6,13H,4-5H2,1-3H3
InChIKey UJBGOGILCYHYAB-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C9H15N3O3S
Exact Mass 245.083413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KOY56ndp9A
Name 5-tert-Butyl-3-hydroxymethyl-5,7,9-triaza-2-oxa-8-thia-bicyclo(4.3.0)nona-6,9-dien-one
CAS Registry Number 80028-47-3
Comments DIASTEREOMER 2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H15N3O3S
InChI InChI=1S/C9H15N3O3S/c1-9(2,3)12-4-6(5-13)15-8-7(12)10-16(14)11-8/h6,13H,4-5H2,1-3H3
InChIKey UJBGOGILCYHYAB-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.S. Amato, S. Karady, R.A. Raemer, J. Am. Chem. Soc. 104, 1375 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6