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(3aS,4S,7S,7aR)-7-(methoxycarbonylamino)-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-yl acetate
SpectraBase Compound ID EnIneiZaPpt
InChI InChI=1S/C13H19NO6/c1-7(15)18-9-6-5-8(14-12(16)17-4)10-11(9)20-13(2,3)19-10/h5-6,8-11H,1-4H3,(H,14,16)/t8-,9-,10+,11-/m0/s1
InChIKey ADPTVNCDHDCPAL-MMWGEVLESA-N
Mol Weight 285.3 g/mol
Molecular Formula C13H19NO6
Exact Mass 285.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgyevE9OTZf
Name (3aS,4S,7S,7aR)-7-(methoxycarbonylamino)-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-yl acetate
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Formula C13H19NO6
InChI InChI=1S/C13H19NO6/c1-7(15)18-9-6-5-8(14-12(16)17-4)10-11(9)20-13(2,3)19-10/h5-6,8-11H,1-4H3,(H,14,16)/t8-,9-,10+,11-/m0/s1
InChIKey ADPTVNCDHDCPAL-MMWGEVLESA-N
Literature Reference DOI 10.1002/rcm.2865
Molecular Weight 285.296 g/mol
SMILES N([C@@]1([C@@]2([C@]([C@](C=C1)(OC(=O)C)[H])(OC(O2)(C)C)[H])[H])[H])C(=O)OC
SPLASH splash10-052f-3900000000-2d7674ddb5a7f9fa4ce9
Source of Spectrum RCM-21-581-4
Synonyms (3aS,4S,7S,7aR)-7-((methoxycarbonyl)amino)-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-yl acetate
Wiley ID 1814405