7-(Hydroxycarbonyl)-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium - Hydrogensulfate - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	Aubq6ByPxuf
InChI	InChI=1S/C12H12N2O2/c1-7-5-8(2)14-11-6-9(12(15)16)3-4-10(11)13-7/h3-6,14H,1-2H3,(H,15,16)/p+1
InChIKey	XGVVGMMLCZXEGV-UHFFFAOYSA-O Google Search
Mol Weight	217.25 g/mol
Molecular Formula	C12H13N2O2
Exact Mass	217.097703 g/mol

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SpectraBase Spectrum ID	FjXGT9eIBPw
Name	7-(Hydroxycarbonyl)-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium - Hydrogensulfate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H13N2O2
InChI	InChI=1S/C12H12N2O2/c1-7-5-8(2)14-11-6-9(12(15)16)3-4-10(11)13-7/h3-6,14H,1-2H3,(H,15,16)/p+1
InChIKey	XGVVGMMLCZXEGV-UHFFFAOYSA-O
Molecular Weight	217.248 g/mol
SMILES	[NH+]1=C(C=C(C)Nc2c1ccc(C(=O)O)c2)C
SPLASH	splash10-014i-1390000000-a92d525aa4a8c69e87bd
Source of Spectrum	F5-1-4349-22a
Synonyms	7-(Hydroxycarbonyl)-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium-Hydrogensulfate 8-Carboxy-2,4-dimethyl-1H-benzo[b][1,4]diazepin-5-ium
Wiley ID	1731617