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Benzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 2-bromo-1-ethoxy-1,2,3,4-tetrahydro-2-methyl-, trans-
SpectraBase Compound ID 5ECwiuU6FPa
InChI InChI=1S/C19H19BrN2O3/c1-3-25-18-19(2,20)8-9-21-16(23)14-10-12-6-4-5-7-13(12)11-15(14)17(24)22(18)21/h4-7,10-11,18H,3,8-9H2,1-2H3/t18-,19-/m1/s1
InChIKey OBBUPUVACFTGEA-RTBURBONSA-N
Mol Weight 403.28 g/mol
Molecular Formula C19H19BrN2O3
Exact Mass 402.057905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cnOiLwrfds
Name Benzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 2-bromo-1-ethoxy-1,2,3,4-tetrahydro-2-methyl-, trans-
CAS Registry Number 76070-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19BrN2O3
InChI InChI=1S/C19H19BrN2O3/c1-3-25-18-19(2,20)8-9-21-16(23)14-10-12-6-4-5-7-13(12)11-15(14)17(24)22(18)21/h4-7,10-11,18H,3,8-9H2,1-2H3/t18-,19-/m1/s1
InChIKey OBBUPUVACFTGEA-RTBURBONSA-N
Molecular Weight 403.276 g/mol
SMILES C1(N2N(C(c3c1cc1c(c3)cccc1)=O)[C@@]([C@@](CC2)(Br)C)(OCC)[H])=O
SPLASH splash10-014i-0491100000-2892ad1f92e32c813771
Source of Spectrum Y-17-1269-0
Synonyms (1R,2R)-2-bromo-1-ethoxy-2-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione 1-Ethoxy-2-bromo-2-methyl-4a,12a-diaza-1,2,3,4,4a,5,12,12a-octahydronaphthacene-5,12-dione
Wiley ID 1370224