6,8A-DIHYDROXY-7-METHYL-4,5,6,7,8,8A-HEXAHYDROPYRROLO-[3.2-E]-2.1.3-BENZOXADIAZOLE

SpectraBase Compound ID	2BzTgSpFnle
InChI	InChI=1S/C9H13N3O3/c1-5-4-9(13)7(12(5)14)3-2-6-8(9)11-15-10-6/h5,7,13-14H,2-4H2,1H3
InChIKey	PBAFDZIDMOFPGN-UHFFFAOYSA-N Google Search
Mol Weight	211.22 g/mol
Molecular Formula	C9H13N3O3
Exact Mass	211.095691 g/mol

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SpectraBase Spectrum ID	B9FWfnAKQSW
Name	7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C9H13N3O3/c1-5-4-9(13)7(12(5)14)3-2-6-8(9)11-15-10-6/h5,7,13-14H,2-4H2,1H3
InChIKey	PBAFDZIDMOFPGN-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_1961
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: N15471RN41S022-187; Labnumber: N15471RN41S022-187; VK_ID: VK-001962
Temperature	315 °C