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(3aRS)-3a-Chloro-2-(4-nitrophenyl)spiro[chromane(4,1')cyclohexane][4,3-d]-.delta.(1,9b)-[1,2,3]thiadiazoline
SpectraBase Compound ID AC4rpV2uvAY
InChI InChI=1S/C20H18ClN3O3S/c21-20-18(22-23(28-20)14-8-10-15(11-9-14)24(25)26)16-6-2-3-7-17(16)27-19(20)12-4-1-5-13-19/h2-3,6-11H,1,4-5,12-13H2
InChIKey AVJCSHITBQNKCT-UHFFFAOYSA-N
Mol Weight 415.9 g/mol
Molecular Formula C20H18ClN3O3S
Exact Mass 415.07574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33wUL1aJHYp
Name (3aRS)-3a-Chloro-2-(4-nitrophenyl)spiro[chromane(4,1')cyclohexane][4,3-d]-.delta.(1,9b)-[1,2,3]thiadiazoline
Alternate Name(s) 3a-chloro-2-(4-nitrophenyl)-2,3a-dihydrospiro[chromeno[4,3-d][1,2,3]thiadiazole-4,1'-cyclohexane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClN3O3S
InChI InChI=1S/C20H18ClN3O3S/c21-20-18(22-23(28-20)14-8-10-15(11-9-14)24(25)26)16-6-2-3-7-17(16)27-19(20)12-4-1-5-13-19/h2-3,6-11H,1,4-5,12-13H2
InChIKey AVJCSHITBQNKCT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.10125
Molecular Weight 415.895 g/mol
SMILES C12(Oc3ccccc3C=3C1(SN(N3)c1ccc(cc1)[N+](=O)[O-])Cl)CCCCC2
SPLASH splash10-001l-2129000000-ceabd6343c8088eb82be
Source of Spectrum HAC-14-228-15c
Wiley ID 1775876