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(1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-9-(phenylsulfonyl)-3,6-dioxa-9-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane

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(1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-9-(phenylsulfonyl)-3,6-dioxa-9-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
SpectraBase Compound ID LHhf9y17Cr6
InChI InChI=1S/C12H11NO4S/c14-18(15,6-4-2-1-3-5-6)13-7-8(13)10-12(17-10)11-9(7)16-11/h1-5,7-12H/t7-,8+,9-,10+,11-,12+,13?
InChIKey ICWLJEHPJILDSW-BQMFDTHNSA-N
Mol Weight 265.28 g/mol
Molecular Formula C12H11NO4S
Exact Mass 265.040879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BbJMzt2TWt
Name (1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-9-(phenylsulfonyl)-3,6-dioxa-9-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
CAS Registry Number 76670-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO4S
InChI InChI=1S/C12H11NO4S/c14-18(15,6-4-2-1-3-5-6)13-7-8(13)10-12(17-10)11-9(7)16-11/h1-5,7-12H/t7-,8+,9-,10+,11-,12+,13?
InChIKey ICWLJEHPJILDSW-BQMFDTHNSA-N
Molecular Weight 265.283 g/mol
SMILES [C@@]12(N([C@]1([C@@]1([C@]([C@@]3([C@]2(O3)[H])[H])(O1)[H])[H])[H])S(=O)(=O)c1ccccc1)[H]
SPLASH splash10-00di-0900000000-53792b920676385c8f15
Source of Spectrum K-121-769-1
Synonyms (1R,2R,4R,5S,7S,8S)-9-(phenylsulfonyl)-3,6-dioxa-9-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
Wiley ID 1268765