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5-(5-Bromo-3-tert-butylsalicylideneamino)-2,3-dihydro-1,4-phthalazinedione
SpectraBase Compound ID CxBnFDtPR9u
InChI InChI=1S/C19H18BrN3O3/c1-19(2,3)13-8-11(20)7-10(16(13)24)9-21-14-6-4-5-12-15(14)18(26)23-22-17(12)25/h4-9,24H,1-3H3,(H,22,25)(H,23,26)/b21-9+
InChIKey APYVMGBRQCZRFJ-ZVBGSRNCSA-N
Mol Weight 416.28 g/mol
Molecular Formula C19H18BrN3O3
Exact Mass 415.053154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaJqKez4BAx
Name 5-(5-Bromo-3-tert-butylsalicylideneamino)-2,3-dihydro-1,4-phthalazinedione
Alternate Name(s) 5-([(Z)-(5-Bromo-3-tert-butyl-2-hydroxyphenyl)methylidene]amino)-2,3-dihydro-1,4-phthalazinedione
CAS Registry Number 330682-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18BrN3O3
InChI InChI=1S/C19H18BrN3O3/c1-19(2,3)13-8-11(20)7-10(16(13)24)9-21-14-6-4-5-12-15(14)18(26)23-22-17(12)25/h4-9,24H,1-3H3,(H,22,25)(H,23,26)/b21-9+
InChIKey APYVMGBRQCZRFJ-ZVBGSRNCSA-N
Molecular Weight 416.275 g/mol
SMILES N1C(c2cccc(\N=C\c3c(c(cc(c3)Br)C(C)(C)C)O)c2C(N1)=O)=O
SPLASH splash10-01ox-9610000000-417a07713232200ddd68
Wiley ID 1468180