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Pyrano[4,3-b]indol-1(3H)-one, 4,5-dihydro-3,3-dimethyl-5-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 7e0DBtxZTgC
InChI InChI=1S/C20H19NO4S/c1-13-8-10-14(11-9-13)26(23,24)21-16-7-5-4-6-15(16)18-17(21)12-20(2,3)25-19(18)22/h4-11H,12H2,1-3H3
InChIKey UNLUHUISSVSALT-UHFFFAOYSA-N
Mol Weight 369.44 g/mol
Molecular Formula C20H19NO4S
Exact Mass 369.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDAYjl8Go1u
Name Pyrano[4,3-b]indol-1(3H)-one, 4,5-dihydro-3,3-dimethyl-5-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 122946-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO4S
InChI InChI=1S/C20H19NO4S/c1-13-8-10-14(11-9-13)26(23,24)21-16-7-5-4-6-15(16)18-17(21)12-20(2,3)25-19(18)22/h4-11H,12H2,1-3H3
InChIKey UNLUHUISSVSALT-UHFFFAOYSA-N
Molecular Weight 369.435 g/mol
SMILES c1(S([n]2c3c(C(=O)OC(C3)(C)C)c3c2cccc3)(=O)=O)ccc(cc1)C
SPLASH splash10-0a6u-2911000000-2288364c9fb22f7771ac
Source of Spectrum J-54-4792-5
Synonyms 3,3-Dimethyl-4-(p-tolylsulfonyl)-[2H]-1,4-dihydropyrano[4,3-b]indole 3,3-Dimethyl-5-[(4-methylphenyl)sulfonyl]-4,5-dihydropyrano[4,3-b]indol-1(3H)-one
Wiley ID 1353611