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3-cyclohexylbenzo[g][1,3]benzothiazine-2,4-dione
SpectraBase Compound ID 6D9VHzuDS1n
InChI InChI=1S/C18H17NO2S/c20-17-15-10-12-6-4-5-7-13(12)11-16(15)22-18(21)19(17)14-8-2-1-3-9-14/h4-7,10-11,14H,1-3,8-9H2
InChIKey NBSHIKSWRHXOEZ-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C18H17NO2S
Exact Mass 311.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5i7tvVaaFVa
Name 3-cyclohexylbenzo[g][1,3]benzothiazine-2,4-dione
Alternate Name(s) 3-cyclohexylbenzo[g][1,3]benzothiazine-2,4-quinone
CAS Registry Number 109151-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO2S
InChI InChI=1S/C18H17NO2S/c20-17-15-10-12-6-4-5-7-13(12)11-16(15)22-18(21)19(17)14-8-2-1-3-9-14/h4-7,10-11,14H,1-3,8-9H2
InChIKey NBSHIKSWRHXOEZ-UHFFFAOYSA-N
Molecular Weight 311.399 g/mol
SMILES C1(N(C(Sc2cc3ccccc3cc12)=O)C1CCCCC1)=O
SPLASH splash10-000i-0901000000-6a514cc54a907b73280d
Source of Spectrum J-52-3846-48
Wiley ID 1312450