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2,5-dimethyl-3-hexyne-2,5-diol, bis(acetoacetate)

View entire compound with spectra: 3 NMR, and 1 FTIR

2,5-dimethyl-3-hexyne-2,5-diol, bis(acetoacetate)
SpectraBase Compound ID 9jo1WzQqjrT
InChI InChI=1S/C16H22O6/c1-11(17)9-13(19)21-15(3,4)7-8-16(5,6)22-14(20)10-12(2)18/h9-10H2,1-6H3
InChIKey APQPDGQNDHXZBQ-UHFFFAOYSA-N
Mol Weight 310.35 g/mol
Molecular Formula C16H22O6
Exact Mass 310.141638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E7Xfk8gF8U7
Name 4-(acetoacetyloxy)-1,1,4-trimethyl-2-pentynyl 3-oxobutanoate
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/C16H22O6/c1-11(17)9-13(19)21-15(3,4)7-8-16(5,6)22-14(20)10-12(2)18/h9-10H2,1-6H3
InChIKey APQPDGQNDHXZBQ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16175
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: 987/00003321; Labnumber: 987/00003321218840; VK_ID: VK-016180
Temperature 308 °C