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(2S,4S)-(4-Benzyloxy-6-phenylsulfanyltetrahydropyran-2-yl)acetic acid
SpectraBase Compound ID Br80DNSpsEo
InChI InChI=1S/C20H22O4S/c21-19(22)12-17-11-16(23-14-15-7-3-1-4-8-15)13-20(24-17)25-18-9-5-2-6-10-18/h1-10,16-17,20H,11-14H2,(H,21,22)/t16-,17-,20?/m0/s1
InChIKey VRBLXLMQUANLFJ-NBJLRHFZSA-N
Mol Weight 358.45 g/mol
Molecular Formula C20H22O4S
Exact Mass 358.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HreX0njeE0i
Name (2S,4S)-(4-Benzyloxy-6-phenylsulfanyltetrahydropyran-2-yl)acetic acid
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Formula C20H22O4S
InChI InChI=1S/C20H22O4S/c21-19(22)12-17-11-16(23-14-15-7-3-1-4-8-15)13-20(24-17)25-18-9-5-2-6-10-18/h1-10,16-17,20H,11-14H2,(H,21,22)/t16-,17-,20?/m0/s1
InChIKey VRBLXLMQUANLFJ-NBJLRHFZSA-N
Molecular Weight 358.452 g/mol
SMILES OC(C[C@]1(OC(C[C@](C1)(OCc1ccccc1)[H])Sc1ccccc1)[H])=O
SPLASH splash10-006x-9300000000-eab4299b21588b7a0eb6
Source of Spectrum F-55-8391-9
Synonyms [(2S,4S)-4-(benzyloxy)-6-(phenylsulfanyl)tetrahydro-2H-pyran-2-yl]acetic acid
Wiley ID 838594