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1-Butyn-1-ol, 3,3-dimethyl-, 4-nitrobenzoate

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1-Butyn-1-ol, 3,3-dimethyl-, 4-nitrobenzoate
SpectraBase Compound ID GjkgrK7KoGx
InChI InChI=1S/C13H13NO4/c1-13(2,3)8-9-18-12(15)10-4-6-11(7-5-10)14(16)17/h4-7H,1-3H3
InChIKey WOKKTFWDARTRMH-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TpbLpgr7kA
Name 4-Nitro-benzoic acid, (3,3-dimethyl-1-butynyl) ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-13(2,3)8-9-18-12(15)10-4-6-11(7-5-10)14(16)17/h4-7H,1-3H3
InChIKey WOKKTFWDARTRMH-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference P.J. Stang, M. Boeshar, H. Wingert, J. Am. Chem. Soc. 110, 3272 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3