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(+-)-(3a.alpha.,4.alpha.,5.beta.,7a.alpha.)-4,5-Dihydroxy-3-methyl-3a,4,5,7a-tetrahydrobenzoxazol-2(3H)-one
SpectraBase Compound ID 40AKT4s8ciu
InChI InChI=1S/C8H11NO4/c1-9-6-5(13-8(9)12)3-2-4(10)7(6)11/h2-7,10-11H,1H3/t4-,5+,6+,7+/m1/s1
InChIKey XQTLMAPJKANWHJ-BWBBJGPYSA-N
Mol Weight 185.18 g/mol
Molecular Formula C8H11NO4
Exact Mass 185.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DkVSQIV4M6
Name (+-)-(3a.alpha.,4.alpha.,5.beta.,7a.alpha.)-4,5-Dihydroxy-3-methyl-3a,4,5,7a-tetrahydrobenzoxazol-2(3H)-one
Alternate Name(s) (+,-)-(3aa,4a,5b,7aa)-4,5-dihydroxy-3-methyl-3a,4,5,7a-tetrahydrobenzoxazol-2(3H)-one (3aR,4R,5R,7aS)-4,5-dihydroxy-3-methyl-3a,4,5,7a-tetrahydro-1,3-benzoxazol-2(3H)-one
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Formula C8H11NO4
InChI InChI=1S/C8H11NO4/c1-9-6-5(13-8(9)12)3-2-4(10)7(6)11/h2-7,10-11H,1H3/t4-,5+,6+,7+/m1/s1
InChIKey XQTLMAPJKANWHJ-BWBBJGPYSA-N
Molecular Weight 185.179 g/mol
SMILES O[C@@]1(C=C[C@@]2(OC(N([C@@]2([C@]1(O)[H])[H])C)=O)[H])[H]
SPLASH splash10-0f6x-9800000000-1816d51a9abef6138d7e
Source of Spectrum B-44-61-0
Wiley ID 1181763