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Bis(2-hexadecanoyloxy-ethyl)-allyl-methyl-ammonium cation
SpectraBase Compound ID Ex8nntNa7im
InChI InChI=1S/C40H78NO4/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)44-37-35-41(4,34-7-3)36-38-45-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h7H,3,5-6,8-38H2,1-2,4H3/q+1
InChIKey ZFZZMDNGENRKPL-UHFFFAOYSA-N
Mol Weight 637.1 g/mol
Molecular Formula C40H78NO4
Exact Mass 636.593085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYOTyYz2sYA
Name Bis(2-hexadecanoyloxy-ethyl)-allyl-methyl-ammonium cation
CAS Registry Number 84454-87-5
Comments BROMIDE FOR C4 TO C13 AND C22 TO C31 A RANGE OF 29.09 TO 29.64 PPM IS GIVEN, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H78NO4
InChI InChI=1S/C40H78NO4/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)44-37-35-41(4,34-7-3)36-38-45-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h7H,3,5-6,8-38H2,1-2,4H3/q+1
InChIKey ZFZZMDNGENRKPL-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference D. Kippenberger, K. Rosenquist, L. Odberg, J. Am. Chem. Soc. 105, 1129 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3