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Benzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 2-chloro-1,2,3,4,8,9,10,11-octahydro-3-hydroxy-2-methyl-, trans-
SpectraBase Compound ID 3DtQ6g6qN2C
InChI InChI=1S/C17H19ClN2O3/c1-17(18)9-20-16(23)13-7-11-5-3-2-4-10(11)6-12(13)15(22)19(20)8-14(17)21/h6-7,14,21H,2-5,8-9H2,1H3/t14-,17+/m0/s1
InChIKey XFFYZMYEEBMROK-WMLDXEAASA-N
Mol Weight 334.8 g/mol
Molecular Formula C17H19ClN2O3
Exact Mass 334.10842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRSgG6eOnXK
Name Benzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 2-chloro-1,2,3,4,8,9,10,11-octahydro-3-hydroxy-2-methyl-, trans-
CAS Registry Number 113246-75-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClN2O3
InChI InChI=1S/C17H19ClN2O3/c1-17(18)9-20-16(23)13-7-11-5-3-2-4-10(11)6-12(13)15(22)19(20)8-14(17)21/h6-7,14,21H,2-5,8-9H2,1H3/t14-,17+/m0/s1
InChIKey XFFYZMYEEBMROK-WMLDXEAASA-N
Molecular Weight 334.803 g/mol
SMILES O[C@@]1([C@@](CN2N(C(=O)c3c(C2=O)cc2c(CCCC2)c3)C1)(Cl)C)[H]
SPLASH splash10-0a4i-0896000000-3787258f55697b98a487
Source of Spectrum Y-24-986-4
Synonyms (2R,3S)-2-chloro-3-hydroxy-2-methyl-1,2,3,4,8,9,10,11-octahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione 2-Chloro-3-hydroxy-2-methyl-6,13-dioxo-1,2,3,4,6,13-hexahydrobenzo[g]pyridazine[1,2-b]phthalazine
Wiley ID 1330826