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3-(1-adamantyl)-2-propynoic acid

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3-(1-adamantyl)-2-propynoic acid
SpectraBase Compound ID LaeVLgDt8hQ
InChI InChI=1S/C13H16O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,(H,14,15)/t9-,10+,11-,13+
InChIKey NLHRGHCCCHUIHM-UPFUWZEBSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1eHRkBIycg9
Name 3-(1-adamantyl)-2-propynoic acid
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/C13H16O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,(H,14,15)/t9-,10+,11-,13+
InChIKey NLHRGHCCCHUIHM-UPFUWZEBSA-N
NMR Offset 16.579
NMR Spectrometer Frequency 250.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_516
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: ZI/8047106; Labnumber: L-05/0000559; IOH_ID: IOH-000517
Temperature 297 °C