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(3aRS)-3a-Chloro-4,4-dimethyl-2-(4-nitrophenyl)-chromane[4,3-d]-.delta.(1,9b)-[1,2,3]thiadiazoline
SpectraBase Compound ID LX2gTZCMwIZ
InChI InChI=1S/C17H14ClN3O3S/c1-16(2)17(18)15(13-5-3-4-6-14(13)24-16)19-20(25-17)11-7-9-12(10-8-11)21(22)23/h3-10H,1-2H3
InChIKey AQGWIKGWPSMVLD-UHFFFAOYSA-N
Mol Weight 375.83 g/mol
Molecular Formula C17H14ClN3O3S
Exact Mass 375.04444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98J5bHRxvzC
Name (3aRS)-3a-Chloro-4,4-dimethyl-2-(4-nitrophenyl)-chromane[4,3-d]-.delta.(1,9b)-[1,2,3]thiadiazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14ClN3O3S
InChI InChI=1S/C17H14ClN3O3S/c1-16(2)17(18)15(13-5-3-4-6-14(13)24-16)19-20(25-17)11-7-9-12(10-8-11)21(22)23/h3-10H,1-2H3
InChIKey AQGWIKGWPSMVLD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.10125
Molecular Weight 375.830 g/mol
SMILES c1ccc2OC(C)(C)C3(SN(N=C3c2c1)c1ccc(cc1)[N+](=O)[O-])Cl
SPLASH splash10-01p6-3239000000-569f2198956493ec49d8
Source of Spectrum HAC-14-228-15b
Synonyms 3a-chloro-4,4-dimethyl-2-(4-nitrophenyl)-3a,4-dihydro-2H-chromeno[4,3-d][1,2,3]thiadiazole
Wiley ID 1775875