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LFXQZRSMQMSAPQ-LIFUNSRPSA-N

View entire compound with spectra: 2 NMR

LFXQZRSMQMSAPQ-LIFUNSRPSA-N
SpectraBase Compound ID ItLY9ZkUEpm
InChI InChI=1S/C21H32O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h7,10,12-13,15-16H,8-9,11,14H2,1-6H3/b10-7+,13-12+,17-15+
InChIKey LFXQZRSMQMSAPQ-LIFUNSRPSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GBS0r0MO2P6
Name 9,10-Dihydro-vitamin A acid, methyl ester
CAS Registry Number 58508-36-4
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h7,10,12-13,15-16H,8-9,11,14H2,1-6H3/b10-7+,13-12+,17-15+
InChIKey LFXQZRSMQMSAPQ-LIFUNSRPSA-N
Instrument Name Bruker HX-90
Literature Reference G. Englert, Helv. Chim. Acta 58, 2367 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3