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(3R)-3-methylhexadecanedioic acid bis(phenylmethyl) ester
SpectraBase Compound ID 3GO2Vholugl
InChI InChI=1S/C31H44O4/c1-27(24-31(33)35-26-29-21-15-11-16-22-29)18-12-8-6-4-2-3-5-7-9-17-23-30(32)34-25-28-19-13-10-14-20-28/h10-11,13-16,19-22,27H,2-9,12,17-18,23-26H2,1H3/t27-/m1/s1
InChIKey MDODCGHFEWJYTF-HHHXNRCGSA-N
Mol Weight 480.7 g/mol
Molecular Formula C31H44O4
Exact Mass 480.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28tMuScNQ9N
Name (3R)-3-methylhexadecanedioic acid bis(phenylmethyl) ester
Alternate Name(s) (3R)-3-methylthapsic acid dibenzyl ester bis(phenylmethyl) (3R)-3-methylhexadecanedioate dibenzyl (3R)-3-methylhexadecanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44O4
InChI InChI=1S/C31H44O4/c1-27(24-31(33)35-26-29-21-15-11-16-22-29)18-12-8-6-4-2-3-5-7-9-17-23-30(32)34-25-28-19-13-10-14-20-28/h10-11,13-16,19-22,27H,2-9,12,17-18,23-26H2,1H3/t27-/m1/s1
InChIKey MDODCGHFEWJYTF-HHHXNRCGSA-N
Molecular Weight 480.689 g/mol
SMILES C(=O)(OCc1ccccc1)C[C@@](CCCCCCCCCCCCC(=O)OCc1ccccc1)(C)[H]
SPLASH splash10-001l-9050000000-1ecec27ed794e51afc4d
Source of Spectrum KD-16-3179-13
Wiley ID 1637909