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Chloro acetic acid 1-(2-Benzyloxypropyl)-4-hydroxylbutyl ester
SpectraBase Compound ID GBa3i7DYAPQ
InChI InChI=1S/C16H23ClO4/c1-13(20-12-14-6-3-2-4-7-14)10-15(8-5-9-18)21-16(19)11-17/h2-4,6-7,13,15,18H,5,8-12H2,1H3/t13-,15-/m1/s1
InChIKey GGBJVBKSZJWSMA-UKRRQHHQSA-N
Mol Weight 314.81 g/mol
Molecular Formula C16H23ClO4
Exact Mass 314.128487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgOhSxVxUeu
Name Chloro acetic acid 1-(2-Benzyloxypropyl)-4-hydroxylbutyl ester
Alternate Name(s) 3-(benzyloxy)-1-(3-hydroxypropyl)butyl chloroacetate Chloro-acetic acid (1R,3R)-3-benzyloxy-1-(3-hydroxy-propyl)-butyl ester
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Formula C16H23ClO4
InChI InChI=1S/C16H23ClO4/c1-13(20-12-14-6-3-2-4-7-14)10-15(8-5-9-18)21-16(19)11-17/h2-4,6-7,13,15,18H,5,8-12H2,1H3/t13-,15-/m1/s1
InChIKey GGBJVBKSZJWSMA-UKRRQHHQSA-N
Molecular Weight 314.809 g/mol
SMILES OCCC[C@](C[C@](OCc1ccccc1)(C)[H])(OC(=O)CCl)[H]
SPLASH splash10-0079-0910000000-35afd799f903af07558c
Source of Spectrum F-54-8020-4
Wiley ID 807619