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12H,14H-7,11:15,19-Dimetheno[1,8,9]thiadiazacyclopentadecino[8,9-b]phthalazine-5,21-dione
SpectraBase Compound ID LZQUFiMRtOx
InChI InChI=1S/C22H16N2O2S/c25-21-19-9-1-2-10-20(19)22(26)24-18-8-4-6-16(12-18)14-27-13-15-5-3-7-17(11-15)23(21)24/h1-12H,13-14H2
InChIKey PHSVUIZTBPOXKR-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C22H16N2O2S
Exact Mass 372.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXGK4j71lOd
Name 12H,14H-7,11:15,19-Dimetheno[1,8,9]thiadiazacyclopentadecino[8,9-b]phthalazine-5,21-dione
CAS Registry Number 99600-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N2O2S
InChI InChI=1S/C22H16N2O2S/c25-21-19-9-1-2-10-20(19)22(26)24-18-8-4-6-16(12-18)14-27-13-15-5-3-7-17(11-15)23(21)24/h1-12H,13-14H2
InChIKey PHSVUIZTBPOXKR-UHFFFAOYSA-N
Molecular Weight 372.442 g/mol
SMILES C1(N2N(C(c3c1cccc3)=O)c1cc(CSCc3cc2ccc3)ccc1)=O
SPLASH splash10-00di-0219000000-471ebda67ec78ad01534
Source of Spectrum K-118-4412-10
Synonyms 12H,14H-7,11:15,19-dimetheno[1,8,9]thiadiazacyclopentadecino[8,9-b]phthalazin-5,21-dion 18-thia-2,11-diazapentacyclo[18.3.1.1(12,16).0(2,11).0(4,9)]pentacosa-1(24),4,6,8,12(25),13,15,20,22-nonaene-3,10-dione N,N-phthaloyl-2-thia-10,11-diaza[3.2]metacyclophane N,N-phtjaloyl-2-thia-10,11-diaza[3.2]metacyclophan
Wiley ID 1355542