For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-Hexyn-1-ol, 4-nitrobenzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Hexyn-1-ol, 4-nitrobenzoate
SpectraBase Compound ID LT0tkEyOrXp
InChI InChI=1S/C13H13NO4/c1-2-3-4-5-10-18-13(15)11-6-8-12(9-7-11)14(16)17/h6-9H,2-4H2,1H3
InChIKey NRNOAFLUUSJIIR-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IKKpgRwVJPP
Name 4-Nitro-benzoic acid, 1-hexynyl ester
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-2-3-4-5-10-18-13(15)11-6-8-12(9-7-11)14(16)17/h6-9H,2-4H2,1H3
InChIKey NRNOAFLUUSJIIR-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