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1,3-Propane-1-d-diol, 2-(phenylmethoxy)-, 3-benzoate
SpectraBase Compound ID Ed91qukgpaF
InChI InChI=1S/C17H18O4/c18-11-16(20-12-14-7-3-1-4-8-14)13-21-17(19)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m0/s1
InChIKey XPUJPUMPCUDFKN-INIZCTEOSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XW6K6lNDX5
Name 1,3-Propane-1-d-diol, 2-(phenylmethoxy)-, 3-benzoate
Alternate Name(s) (2S)-2-(benzyloxy)-3-hydroxypropyl benzoate (S)-3-benzoyloxy-2-benzyloxypropan-1-ol
CAS Registry Number 114935-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c18-11-16(20-12-14-7-3-1-4-8-14)13-21-17(19)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m0/s1
InChIKey XPUJPUMPCUDFKN-INIZCTEOSA-N
Molecular Weight 286.327 g/mol
SMILES OC[C@](OCc1ccccc1)(COC(=O)c1ccccc1)[H]
SPLASH splash10-052f-9400000000-4b0a030f88c06c6605a8
Source of Spectrum F-43-3812-25
Wiley ID 1289998