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ACETIC ACID, 8-ACETOXY-6-BENZENESULFONYL-2-OXA-6-AZA-ADAMANTAN-4-YL ESTER
SpectraBase Compound ID 5IuXJ8E5Hm0
InChI InChI=1S/C18H21NO7S/c1-10(20)24-17-13-8-16-18(25-11(2)21)14(9-15(17)26-16)19(13)27(22,23)12-6-4-3-5-7-12/h3-7,13-18H,8-9H2,1-2H3/t13-,14-,15-,16-,17+,18+/m1/s1
InChIKey ADVWIINBSVVABT-WJQMWINMSA-N
Mol Weight 395.43 g/mol
Molecular Formula C18H21NO7S
Exact Mass 395.103873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EO2rXDDY8gl
Name ACETIC ACID, 8-ACETOXY-6-BENZENESULFONYL-2-OXA-6-AZA-ADAMANTAN-4-YL ESTER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C18H21NO7S
InChI InChI=1S/C18H21NO7S/c1-10(20)24-17-13-8-16-18(25-11(2)21)14(9-15(17)26-16)19(13)27(22,23)12-6-4-3-5-7-12/h3-7,13-18H,8-9H2,1-2H3/t13-,14-,15-,16-,17+,18+/m1/s1
InChIKey ADVWIINBSVVABT-WJQMWINMSA-N
Molecular Weight 395.1033
SMILES [C@@]12(N(S(c3ccccc3)(=O)=O)[C@@]3(C[C@]([C@]1(OC(=O)C)[H])(O[C@@]([C@]3(OC(=O)C)[H])(C2)[H])[H])[H])[H]
SPLASH splash10-002g-9775000000-2ea824fb95d802a7bf33
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany