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[(3aR,4S,6aS)-2,2-dimethyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl methanesulfonate
SpectraBase Compound ID 7qcg79beGy4
InChI InChI=1S/C16H23NO5S/c1-16(2)21-14-10-17(9-12-7-5-4-6-8-12)13(15(14)22-16)11-20-23(3,18)19/h4-8,13-15H,9-11H2,1-3H3/t13-,14-,15+/m0/s1
InChIKey HIILYORSISKHEP-SOUVJXGZSA-N
Mol Weight 341.42 g/mol
Molecular Formula C16H23NO5S
Exact Mass 341.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUH396hBooc
Name [(3aR,4S,6aS)-2,2-dimethyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl methanesulfonate
Alternate Name(s) [(3aR,4S,6aS)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl methanesulfonate methanesulfonic acid [(3aR,4S,6aS)-2,2-dimethyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO5S
InChI InChI=1S/C16H23NO5S/c1-16(2)21-14-10-17(9-12-7-5-4-6-8-12)13(15(14)22-16)11-20-23(3,18)19/h4-8,13-15H,9-11H2,1-3H3/t13-,14-,15+/m0/s1
InChIKey HIILYORSISKHEP-SOUVJXGZSA-N
Molecular Weight 341.422 g/mol
SMILES [C@@]1(N(C[C@@]2(OC(O[C@]12[H])(C)C)[H])Cc1ccccc1)(COS(=O)(=O)C)[H]
SPLASH splash10-0006-9000000000-371abae56b4b38d80f7d
Source of Spectrum KC-0-805-13
Wiley ID 785244