SpectraBase Compound ID | 3EpS2TyxBqh |
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InChI | InChI=1S/C14H14ClN3O4S/c1-3-6-22-14(19)10-8-17-18(13(10)16)12-5-4-9(7-11(12)15)23(2,20)21/h3-5,7-8H,1,6,16H2,2H3 |
InChIKey | VCCORWGDYZGENY-UHFFFAOYSA-N |
Mol Weight | 355.8 g/mol |
Molecular Formula | C14H14ClN3O4S |
Exact Mass | 355.039355 g/mol |
SpectraBase Spectrum ID | 3JCtyDuvLZ7 |
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Name | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-[2-chloro-4-(methylsulfonyl)phenyl]-, 2-propenyl ester |
CAS Registry Number | 85634-55-5 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C14H14ClN3O4S |
InChI | InChI=1S/C14H14ClN3O4S/c1-3-6-22-14(19)10-8-17-18(13(10)16)12-5-4-9(7-11(12)15)23(2,20)21/h3-5,7-8H,1,6,16H2,2H3 |
InChIKey | VCCORWGDYZGENY-UHFFFAOYSA-N |
Instrument Name | Bruker IFS 112 |
Technique | KBr-Pellet |