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Cyclophosphamide monohydrate

View entire compound with spectra: 3 NMR, 5 FTIR, and 2 Raman

Cyclophosphamide monohydrate
SpectraBase Compound ID 6qEfHLTKlCD
InChI InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2
InChIKey PWOQRKCAHTVFLB-UHFFFAOYSA-N
Mol Weight 279.1 g/mol
Molecular Formula C7H17Cl2N2O3P
Exact Mass 278.035385 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HeW7gTr2MYg
Name Cyclophosphamide monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 218707
CAS Registry Number 6055-19-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H17Cl2N2O3P
InChI InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2
InChIKey PWOQRKCAHTVFLB-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98+%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_003126