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2-{[(2E)-3-chloro-2-butenyl]sulfanyl}-6-iodo-3-phenyl-4(3H)-quinazolinone
SpectraBase Compound ID LUmqbvs9CWi
InChI InChI=1S/C18H14ClIN2OS/c1-12(19)9-10-24-18-21-16-8-7-13(20)11-15(16)17(23)22(18)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3/b12-9+
InChIKey KOKCWHDYUWSZKW-FMIVXFBMSA-N
Mol Weight 468.74 g/mol
Molecular Formula C18H14ClIN2OS
Exact Mass 467.956007 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4qcD5LpebXL
Name 2-{[(2E)-3-chloro-2-butenyl]sulfanyl}-6-iodo-3-phenyl-4(3H)-quinazolinone
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/C18H14ClIN2OS/c1-12(19)9-10-24-18-21-16-8-7-13(20)11-15(16)17(23)22(18)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3/b12-9+
InChIKey KOKCWHDYUWSZKW-FMIVXFBMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21286
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: D52201; Labnumber: AENIC71-0353; SBI_ID: SBI-021290
Synonyms 2-{[3-chloro-2-butenyl]sulfanyl}-6-iodo-3-phenyl-4(3H)-quinazolinone
Temperature 318 °C