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(3aRS)-3a-Ethoxy-4,4-dimethyl-2-(4-nitrophenyl)chromane[4,3-d]-.delta.(1,9b)-[1,2,3]thiadiazoline

View entire compound with spectra: 1 MS (GC)

(3aRS)-3a-Ethoxy-4,4-dimethyl-2-(4-nitrophenyl)chromane[4,3-d]-.delta.(1,9b)-[1,2,3]thiadiazoline
SpectraBase Compound ID BIxUqTl7ah5
InChI InChI=1S/C19H19N3O4S/c1-4-25-19-17(15-7-5-6-8-16(15)26-18(19,2)3)20-21(27-19)13-9-11-14(12-10-13)22(23)24/h5-12H,4H2,1-3H3
InChIKey XVXFBIXYBDIEHV-UHFFFAOYSA-N
Mol Weight 385.44 g/mol
Molecular Formula C19H19N3O4S
Exact Mass 385.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mW8btKB8As
Name (3aRS)-3a-Ethoxy-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 C19H19N3O4S
InChI InChI=1S/C19H19N3O4S/c1-4-25-19-17(15-7-5-6-8-16(15)26-18(19,2)3)20-21(27-19)13-9-11-14(12-10-13)22(23)24/h5-12H,4H2,1-3H3
InChIKey XVXFBIXYBDIEHV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.10125
Molecular Weight 385.438 g/mol
SMILES c1ccc2OC(C)(C)C3(C(=NN(c4ccc(cc4)[N+](=O)[O-])S3)c2c1)OCC
SPLASH splash10-0a6s-9414000000-39035f8532a23214c01b
Source of Spectrum HAC-14-228-16b
Synonyms 3a-ethoxy-4,4-dimethyl-2-(4-nitrophenyl)-3a,4-dihydro-2H-chromeno[4,3-d][1,2,3]thiadiazole
Wiley ID 1775878