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[(3aS,4R,7S,7aR)-7-(methoxycarbonylamino)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl] 2,2,2-trideuterioacetate

View entire compound with spectra: 1 MS (GC)

[(3aS,4R,7S,7aR)-7-(methoxycarbonylamino)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl] 2,2,2-trideuterioacetate
SpectraBase Compound ID 9nhHl8KHujO
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/i1D3
InChIKey ADPTVNCDHDCPAL-MAJPTAJESA-N
Mol Weight 288.31 g/mol
Molecular Formula C13H16D3NO6
Exact Mass 288.140068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oz5wN9Lirb
Name [(3aS,4R,7S,7aR)-7-(methoxycarbonylamino)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl] 2,2,2-trideuterioacetate
Alternate Name(s) (3aS,4R,7S,7aR)-7-((methoxycarbonyl)amino)-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-yl acetate-d3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16D3NO6
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/i1D3
InChIKey ADPTVNCDHDCPAL-MAJPTAJESA-N
Literature Reference DOI 10.1002/rcm.2865
Molecular Weight 288.314 g/mol
SMILES N([C@@]1([C@@]2([C@]([C@@](C=C1)(OC(=O)C([D])([D])[D])[H])(OC(O2)(C)C)[H])[H])[H])C(=O)OC
SPLASH splash10-05nn-5910000000-b0d8bf8a8f8d673acae3
Source of Spectrum RCM-21-582-d3_3
Wiley ID 1814406