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10H-Tribenzo[b,e,g][1,4]thiazocine, 5,5-dioxide
SpectraBase Compound ID CYZg3jvB9oJ
InChI InChI=1S/C18H13NO2S/c20-22(21)17-11-5-2-8-14(17)13-7-1-3-9-15(13)19-16-10-4-6-12-18(16)22/h1-12,19H
InChIKey AJQKFGZOVHLTDP-UHFFFAOYSA-N
Mol Weight 307.37 g/mol
Molecular Formula C18H13NO2S
Exact Mass 307.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAbkGyrHPd2
Name 10H-Tribenzo[b,e,g][1,4]thiazocine, 5,5-dioxide
Alternate Name(s) 14H-tribenzo[b,E,g][1,4]thiazocin-9,9-dioxide
CAS Registry Number 88312-87-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NO2S
InChI InChI=1S/C18H13NO2S/c20-22(21)17-11-5-2-8-14(17)13-7-1-3-9-15(13)19-16-10-4-6-12-18(16)22/h1-12,19H
InChIKey AJQKFGZOVHLTDP-UHFFFAOYSA-N
Molecular Weight 307.367 g/mol
SMILES N1c2c(-c3c(S(c4c1cccc4)(=O)=O)cccc3)cccc2
SPLASH splash10-0006-0094000000-bd33c3b86db777dcfafc
Source of Spectrum F-39-2081-0
Wiley ID 1308999