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6-Acetoxy-2-oxo-3-tosyl-2,3,3a,5a,6,9,9a,9boctahydronaphtho[2,1-d]oxazol
SpectraBase Compound ID 8Q2wvfmTmAU
InChI InChI=1S/C20H21NO6S/c1-12-6-8-14(9-7-12)28(24,25)21-17-11-10-15-16(19(17)27-20(21)23)4-3-5-18(15)26-13(2)22/h3,5-11,15-19H,4H2,1-2H3/t15-,16-,17+,18-,19-/m0/s1
InChIKey VRQRZLOZGXMZPN-OYSTVDSJSA-N
Mol Weight 403.45 g/mol
Molecular Formula C20H21NO6S
Exact Mass 403.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gf342eQEtlj
Name 6-Acetoxy-2-oxo-3-tosyl-2,3,3a,5a,6,9,9a,9boctahydronaphtho[2,1-d]oxazol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO6S
InChI InChI=1S/C20H21NO6S/c1-12-6-8-14(9-7-12)28(24,25)21-17-11-10-15-16(19(17)27-20(21)23)4-3-5-18(15)26-13(2)22/h3,5-11,15-19H,4H2,1-2H3/t15-,16-,17+,18-,19-/m0/s1
InChIKey VRQRZLOZGXMZPN-OYSTVDSJSA-N
Molecular Weight 403.449 g/mol
SMILES c1(S(N2C(O[C@@]3([C@]2(C=C[C@@]2([C@@](OC(=O)C)(C=CC[C@]32[H])[H])[H])[H])[H])=O)(=O)=O)ccc(cc1)C
SPLASH splash10-00kf-9600000000-d808b2b7a5faf6025c57
Source of Spectrum F-68-1891-12b
Synonyms Acetic acid (3aR,5aS,6S,9aS,9bS)-2-oxo-3-(toluene-4-sulfonyl)-2,3,3a,5a,6,9,9a,9b-octahydro-1-oxa-3-aza-cyclopenta[a]naphthalen-6-yl ester
Wiley ID 1708248