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Dimethyl (2R,3S)-2-(1-hydroxy-1-phenylmethyl)-1,4-dioxaspiro[4.4.]nonane-2,3-dicarboxylate isomer
SpectraBase Compound ID F5TQAZw4n2z
InChI InChI=1S/C18H22O7/c1-22-15(20)14-18(16(21)23-2,13(19)12-8-4-3-5-9-12)25-17(24-14)10-6-7-11-17/h3-5,8-9,13-14,19H,6-7,10-11H2,1-2H3/t13?,14-,18-/m1/s1
InChIKey XWNZAWXZIJBECK-JDPNFYKBSA-N
Mol Weight 350.37 g/mol
Molecular Formula C18H22O7
Exact Mass 350.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DozuBxHW9HD
Name Dimethyl (2R,3S)-2-(1-hydroxy-1-phenylmethyl)-1,4-dioxaspiro[4.4.]nonane-2,3-dicarboxylate isomer
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Formula C18H22O7
InChI InChI=1S/C18H22O7/c1-22-15(20)14-18(16(21)23-2,13(19)12-8-4-3-5-9-12)25-17(24-14)10-6-7-11-17/h3-5,8-9,13-14,19H,6-7,10-11H2,1-2H3/t13?,14-,18-/m1/s1
InChIKey XWNZAWXZIJBECK-JDPNFYKBSA-N
Molecular Weight 350.367 g/mol
SMILES OC([C@@]1([C@](OC2(O1)CCCC2)(C(=O)OC)[H])C(=O)OC)c1ccccc1
SPLASH splash10-114l-0930000000-d6d19f1a9e8a72c34d62
Source of Spectrum KC-0-159-3
Wiley ID 827221