SpectraBase Compound ID | Jvo7XQ784pf |
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InChI | InChI=1S/C21H21N3O.ClHO4/c1-4-22-16-11-19-18(10-13(16)3)24-21-15-9-7-6-8-14(15)17(23-5-2)12-20(21)25-19;2-1(3,4)5/h6-12,22H,4-5H2,1-3H3;(H,2,3,4,5)/b23-17-; |
InChIKey | YCGJPLISNURWCC-AHKBEGBGSA-N |
Mol Weight | 431.88 g/mol |
Molecular Formula | C21H22ClN3O5 |
Exact Mass | 431.124799 g/mol |
SpectraBase Spectrum ID | 6GhWGU33Ret |
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Name | Oxazine 170 perchlorate |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 372056 |
CAS Registry Number | 62669-60-7 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H22ClN3O5 |
InChI | InChI=1S/C21H21N3O.ClHO4/c1-4-22-16-11-19-18(10-13(16)3)24-21-15-9-7-6-8-14(15)17(23-5-2)12-20(21)25-19;2-1(3,4)5/h6-12,22H,4-5H2,1-3H3;(H,2,3,4,5)/b23-17-; |
InChIKey | YCGJPLISNURWCC-AHKBEGBGSA-N |
Observed nucleus | 1H |
Solvent | DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_007912 |