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(1R)-1-[1(S)-1,2-Dihydroxy-1-methylethyl]heptyl (Phenylsulfonyl)acetate
SpectraBase Compound ID GazdtYIALxf
InChI InChI=1S/C18H28O4S/c1-3-4-5-9-12-16(18(2,21)14-19)22-17(20)13-23-15-10-7-6-8-11-15/h6-8,10-11,16,19,21H,3-5,9,12-14H2,1-2H3/t16-,18+/m1/s1
InChIKey XOVIJDDARYNJQY-AEFFLSMTSA-N
Mol Weight 340.48 g/mol
Molecular Formula C18H28O4S
Exact Mass 340.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfW7dG0J9Fb
Name (1R)-1-[1(S)-1,2-Dihydroxy-1-methylethyl]heptyl (Phenylsulfonyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4S
InChI InChI=1S/C18H28O4S/c1-3-4-5-9-12-16(18(2,21)14-19)22-17(20)13-23-15-10-7-6-8-11-15/h6-8,10-11,16,19,21H,3-5,9,12-14H2,1-2H3/t16-,18+/m1/s1
InChIKey XOVIJDDARYNJQY-AEFFLSMTSA-N
Molecular Weight 340.478 g/mol
SMILES O[C@@](CO)([C@](OC(=O)CSc1ccccc1)(CCCCCC)[H])C
SPLASH splash10-02mi-0910000000-58dceb85833940c400bc
Source of Spectrum J-59-4468-13
Synonyms (1R)-1-[1(S)-1,2-Dihydroxy-1-methylethyl]heptyl (Phenylsulfanyl)acetate 2-(Phenylthio)acetic acid [(2S,3R)-1,2-dihydroxy-2-methylnonan-3-yl] ester [(2S,3R)-1,2-dihydroxy-2-methylnonan-3-yl] 2-phenylsulfanylacetate [(1R)-1-[(1S)-1,2-dihydroxy-1-methyl-ethyl]heptyl] 2-phenylsulfanylacetate [(2S,3R)-2-methyl-1,2-bis(oxidanyl)nonan-3-yl] 2-phenylsulfanylethanoate
Wiley ID 1335072