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1-Deoxy-1-nitro-D-iditol hemihydrate

View entire compound with spectra: 1 FTIR

1-Deoxy-1-nitro-D-iditol hemihydrate
SpectraBase Compound ID 456q1xPD047
InChI InChI=1S/2C6H13NO7.O/c2*8-2-4(10)6(12)5(11)3(9)1-7(13)14;/h2*3-6,8-12H,1-2H2;/t2*3-,4-,5+,6+;/m11./s1
InChIKey UILLAPFVKJJFEO-LXVQBBSISA-N
Mol Weight 438.34 g/mol
Molecular Formula C12H26N2O15
Exact Mass 438.133318 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID LCAvyvG2ofI
Name 1-Deoxy-1-nitro-D-iditol hemihydrate
Source of Sample Aldrich
Catalog Number 387835
CAS Registry Number 96613-89-7
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H13NO7*0.5H2O
InChI InChI=1S/2C6H13NO7.O/c2*8-2-4(10)6(12)5(11)3(9)1-7(13)14;/h2*3-6,8-12H,1-2H2;/t2*3-,4-,5+,6+;/m11./s1
InChIKey UILLAPFVKJJFEO-LXVQBBSISA-N
Purity 99%
Wiley ID SIAL_ATR-IR_018073