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L-CHOLINE HYDROXIDE, DIHYDROGEN PHOSPHATE, INNER SALT, ESTER WITH1,2-DIMYRISTIN, MONOHYDRATE

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L-CHOLINE HYDROXIDE, DIHYDROGEN PHOSPHATE, INNER SALT, ESTER WITH1,2-DIMYRISTIN, MONOHYDRATE
SpectraBase Compound ID ExlHf8k1vng
InChI InChI=1S/C36H72NO8P.H2O/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2;/h34H,6-33H2,1-5H3;1H2
InChIKey SGHGGMLCMDJCBM-UHFFFAOYSA-N
Mol Weight 696.0 g/mol
Molecular Formula C36H74NO9P
Exact Mass 695.51012 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BcJ3Afiu9pt
Name L-CHOLINE HYDROXIDE, DIHYDROGEN PHOSPHATE, INNER SALT, ESTER WITH1,2-DIMYRISTIN, MONOHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H72NO8P H2O
InChI InChI=1S/C36H72NO8P.H2O/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2;/h34H,6-33H2,1-5H3;1H2
InChIKey SGHGGMLCMDJCBM-UHFFFAOYSA-N
Melting Point 235-237C
Molecular Weight 695.97
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CHOLINE HYDROXIDE, DIHYDROGEN PHOSPHATE, INNER SALT, ESTER WITH 1,2-DIMYRISTIN, MONOHYDRATE