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5,5-dimethyl-3-{(E)-2-[4-(1H-triazirin-1-yl)phenyl]ethenyl}-2-cyclohexen-1-one
SpectraBase Compound ID 8a8gUosXnTR
InChI InChI=1S/C16H17N3O/c1-16(2)10-13(9-15(20)11-16)4-3-12-5-7-14(8-6-12)19-17-18-19/h3-9H,10-11H2,1-2H3/b4-3+
InChIKey DTEMMFZSXNLHHE-ONEGZZNKSA-N
Mol Weight 267.33 g/mol
Molecular Formula C16H17N3O
Exact Mass 267.137162 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E1zFv9GLPEp
Name 5,5-dimethyl-3-{(E)-2-[4-(1H-triazirin-1-yl)phenyl]ethenyl}-2-cyclohexen-1-one
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/C16H17N3O/c1-16(2)10-13(9-15(20)11-16)4-3-12-5-7-14(8-6-12)19-17-18-19/h3-9H,10-11H2,1-2H3/b4-3+
InChIKey DTEMMFZSXNLHHE-ONEGZZNKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15038
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: 987/00001238; Labnumber: 987/00001238218814; VK_ID: VK-015043
Synonyms 5,5-dimethyl-3-{2-[4-(1H-triazirin-1-yl)phenyl]ethenyl}-2-cyclohexen-1-one
Temperature 318 °C