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(2RS,3SR,4RS)-1-O-Benzyl-2,4-dimethyl-1,3-pentanediol
SpectraBase Compound ID 1HsEp0g4XL5
InChI InChI=1S/C16H26O2/c1-4-8-13(2)16(17)14(3)11-18-12-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,4,8,11-12H2,1-3H3/t13-,14-,16+/m1/s1
InChIKey OKEWUOMFXABGLP-FMKPAKJESA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID olPgArCBBO
Name (2RS,3SR,4RS)-1-O-Benzyl-2,4-dimethyl-1,3-pentanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-4-8-13(2)16(17)14(3)11-18-12-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,4,8,11-12H2,1-3H3/t13-,14-,16+/m1/s1
InChIKey OKEWUOMFXABGLP-FMKPAKJESA-N
Molecular Weight 250.382 g/mol
SMILES O[C@]([C@@](COCc1ccccc1)(C)[H])([C@@](CCC)(C)[H])[H]
SPLASH splash10-0006-9200000000-735ad4f5209416f54051
Source of Spectrum J-58-341-14
Synonyms (2RS,3SR,4RS)-1-O-Benzyl-2,4-dimethyl-1,3-heptanediol (2R,3S,4R)-2,4-dimethyl-1-phenylmethoxy-3-heptanol (2R,3S,4R)-2,4-dimethyl-1-phenylmethoxyheptan-3-ol (2R,3S,4R)-1-benzyloxy-2,4-dimethyl-heptan-3-ol (2R,3S,4R)-2,4-dimethyl-1-phenylmethoxy-heptan-3-ol
Wiley ID 1253966