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thiocyanic acid, pentyl ester

View entire compound with spectra: 6 NMR, and 2 FTIR

thiocyanic acid, pentyl ester
SpectraBase Compound ID HUJLLG22N7T
InChI InChI=1S/C6H11NS/c1-2-3-4-5-8-6-7/h2-5H2,1H3
InChIKey HHAHSQJCFOPSFV-UHFFFAOYSA-N
Mol Weight 129.22 g/mol
Molecular Formula C6H11NS
Exact Mass 129.061221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGSXwBFMUXa
Name Pentyl-thiocyanate
CAS Registry Number 32446-40-5
Comments SHIFT OF 39.6 PPM FOR C3 CHANGED TO 29.6 PPM
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C6H11NS
InChI InChI=1S/C6H11NS/c1-2-3-4-5-8-6-7/h2-5H2,1H3
InChIKey HHAHSQJCFOPSFV-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference M. Feigel, H. Kessler, Chem. Ber. 111, 2947 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3