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(3R,3aR,9bS)-7-Methoxy-1-methyl-3-phenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide

View entire compound with spectra: 1 MS (GC)

(3R,3aR,9bS)-7-Methoxy-1-methyl-3-phenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide
SpectraBase Compound ID ATjgPYHRDj7
InChI InChI=1S/C17H17NO5S/c1-18-15-13-9-8-12(21-2)10-14(13)23-24(19,20)17(15)16(22-18)11-6-4-3-5-7-11/h3-10,15-17H,1-2H3/t15-,16+,17+/m0/s1
InChIKey VGGDLBDACNNBMR-GVDBMIGSSA-N
Mol Weight 347.39 g/mol
Molecular Formula C17H17NO5S
Exact Mass 347.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SFzddq0sVS
Name (3R,3aR,9bS)-7-Methoxy-1-methyl-3-phenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide
Alternate Name(s) 7-Methoxy-1-methyl-3-phenyl-1,3,3a,9b-tetrahydrobenzo[e][1,2]-oxathiino[4,3-c]isoxazole-4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO5S
InChI InChI=1S/C17H17NO5S/c1-18-15-13-9-8-12(21-2)10-14(13)23-24(19,20)17(15)16(22-18)11-6-4-3-5-7-11/h3-10,15-17H,1-2H3/t15-,16+,17+/m0/s1
InChIKey VGGDLBDACNNBMR-GVDBMIGSSA-N
Molecular Weight 347.385 g/mol
SMILES [C@@]12(S(Oc3cc(ccc3[C@@]2(N(C)O[C@@]1(c1ccccc1)[H])[H])OC)(=O)=O)[H]
SPLASH splash10-03di-0924000000-059fdabba521cac44836
Source of Spectrum F-68-3646-3c
Wiley ID 1708531