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trans-1-benzyl-1,4,4a,5,6,7,8,8a-octahydro-3,2,1-benzoxathiazine 2-oxide
SpectraBase Compound ID 34bLditsUf7
InChI InChI=1S/C14H19NO2S/c16-18-15(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-17-18/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14?,18?/m0/s1
InChIKey HUMUUFOTSJFQBG-VNSJNIRKSA-N
Mol Weight 265.37 g/mol
Molecular Formula C14H19NO2S
Exact Mass 265.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YjOWZWhuWc
Name trans-1-benzyl-1,4,4a,5,6,7,8,8a-octahydro-3,2,1-benzoxathiazine 2-oxide
Alternate Name(s) cis-fused 1-benzyl-1,4,4a,5,6,7,8,8a-octahydro-3,2,1-benzoxathiazine 2-oxide (4aR)-1-benzyloctahydro-3,2,1-benzoxathiazine 2-oxide
CAS Registry Number 107382-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO2S
InChI InChI=1S/C14H19NO2S/c16-18-15(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-17-18/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14?,18?/m0/s1
InChIKey HUMUUFOTSJFQBG-VNSJNIRKSA-N
Molecular Weight 265.371 g/mol
SMILES C12N([S@@](OC[C@@]1(CCCC2)[H])=O)Cc1ccccc1
SPLASH splash10-0089-9810000000-546a36123891fb5db40e
Source of Spectrum B-39-600-29
Wiley ID 1268899