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

SpectraBase Compound ID	GBuMcIjPe1U
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/i2D3,3D3
InChIKey	ADPTVNCDHDCPAL-BNGGHIFXSA-N Google Search
Mol Weight	291.33 g/mol
Molecular Formula	C13H13D6NO6
Exact Mass	291.158898 g/mol

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SpectraBase Spectrum ID	5zeuumJ1WMp
Name	[(3aS,4R,7S,7aR)-7-(methoxycarbonylamino)-2,2-bis(trideuteriomethyl)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]acetate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H13D6NO6
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/i2D3,3D3
InChIKey	ADPTVNCDHDCPAL-BNGGHIFXSA-N
Literature Reference DOI	10.1002/rcm.2865
Molecular Weight	291.333 g/mol
SMILES	N([C@@]1([C@@]2([C@]([C@@](C=C1)(OC(=O)C)[H])(OC(O2)(C([D])([D])[D])C([D])([D])[D])[H])[H])[H])C(=O)OC
SPLASH	splash10-053f-5910000000-d1ed2e96c8fe5784aa55
Source of Spectrum	RCM-21-582-d6_3
Synonyms	(3aS,4R,7S,7aR)-7-((methoxycarbonyl)amino)-2,2-bis(methyl-d3)-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-yl acetate
Wiley ID	1814407