2,4-diiodo-6-((E)-{[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol

SpectraBase Compound ID	8iCzUykuyfK
InChI	InChI=1S/C15H12I2N6OS/c16-8-4-7(13(24)10(17)5-8)6-18-23-14(21-22-15(23)25)12-9-2-1-3-11(9)19-20-12/h4-6,24H,1-3H2,(H,19,20)(H,22,25)/b18-6+
InChIKey	NPTJFBDTNPKUNG-NGYBGAFCSA-N Google Search
Mol Weight	578.17 g/mol
Molecular Formula	C15H12I2N6OS
Exact Mass	577.88827 g/mol

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SpectraBase Spectrum ID	KqrEezwqvEq
Name	2,4-diiodo-6-((E)-{[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C15H12I2N6OS/c16-8-4-7(13(24)10(17)5-8)6-18-23-14(21-22-15(23)25)12-9-2-1-3-11(9)19-20-12/h4-6,24H,1-3H2,(H,19,20)(H,22,25)/b18-6+
InChIKey	NPTJFBDTNPKUNG-NGYBGAFCSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10520
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: E00568; Labnumber: GRES-14138; SBI_ID: SBI-010523
Synonyms	2,4-diiodo-6-({[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature	318 °C