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Fluorescein isothiocyanate isomer I

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

Fluorescein isothiocyanate isomer I
SpectraBase Compound ID ECCMLqnNa1P
InChI InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H
InChIKey MHMNJMPURVTYEJ-UHFFFAOYSA-N
Mol Weight 389.38 g/mol
Molecular Formula C21H11NO5S
Exact Mass 389.035794 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B4LvNcrm6oA
Name Fluorescein isothiocyanate isomer I
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number F2502
CAS Registry Number 3326-32-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H11NO5S
InChI InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H
InChIKey MHMNJMPURVTYEJ-UHFFFAOYSA-N
Observed nucleus 1H
Purity 90%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms FITC; Fluorescein 5-isothiocyanate
Wiley ID SIAL_1HNMR_011839