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(1R)-(1a,2beta,3a)-(+)-3-Methyl-2-nitromethyl-5-oxocyclopentaneacetic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

(1R)-(1a,2beta,3a)-(+)-3-Methyl-2-nitromethyl-5-oxocyclopentaneacetic acid
SpectraBase Compound ID 5PGopq2MIhg
InChI InChI=1S/C9H13NO5/c1-5-2-8(11)6(3-9(12)13)7(5)4-10(14)15/h5-7H,2-4H2,1H3,(H,12,13)/t5-,6-,7+/m1/s1
InChIKey YPCIKCQPODDZAT-QYNIQEEDSA-N
Mol Weight 215.2 g/mol
Molecular Formula C9H13NO5
Exact Mass 215.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FM7sEdLsiwO
Name (1R)-(1a,2beta,3a)-(+)-3-Methyl-2-nitromethyl-5-oxocyclopentaneacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 292958
CAS Registry Number 86023-17-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO5
InChI InChI=1S/C9H13NO5/c1-5-2-8(11)6(3-9(12)13)7(5)4-10(14)15/h5-7H,2-4H2,1H3,(H,12,13)/t5-,6-,7+/m1/s1
InChIKey YPCIKCQPODDZAT-QYNIQEEDSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms [1R-(1a,2beta,3a)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid
Wiley ID SIAL_13CNMR_005661