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Nemorensic acid

View entire compound with spectra: 1 MS (GC)

Nemorensic acid
SpectraBase Compound ID FD2oZqK80ZJ
InChI InChI=1S/C10H16O5/c1-6-4-9(2,5-7(11)12)15-10(6,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,9+,10-/m0/s1
InChIKey MCGQKNRASJPXNC-QUNWWBBNSA-N
Mol Weight 216.23 g/mol
Molecular Formula C10H16O5
Exact Mass 216.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cafYFBv24N
Name Nemorensic acid
Alternate Name(s) (2S,3S,5R)-5-(carboxymethyl)-2,3,5-trimethyl-2-oxolanecarboxylic acid (2S,3S,5R)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid (2S,3S,5R)-5-(2-hydroxy-2-oxoethyl)-2,3,5-trimethyl-oxolane-2-carboxylic acid
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Formula C10H16O5
InChI InChI=1S/C10H16O5/c1-6-4-9(2,5-7(11)12)15-10(6,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,9+,10-/m0/s1
InChIKey MCGQKNRASJPXNC-QUNWWBBNSA-N
Molecular Weight 216.233 g/mol
SMILES OC(C[C@@]1(O[C@](C(=O)O)([C@](C1)(C)[H])C)C)=O
SPLASH splash10-0avi-9300000000-e18bdd62a806fd67af9c
Source of Spectrum J-64-4563-3
Wiley ID 1530322