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[tert-Butoxycarbonylimino-2-chloro-5,7-dihydro-pyrrolo[3,4-b]pyridine-6-ylmethyl]carbamic acid tert-butyl ester
SpectraBase Compound ID 6NOEywItorH
InChI InChI=1S/C18H25ClN4O4/c1-17(2,3)26-15(24)21-14(22-16(25)27-18(4,5)6)23-9-11-7-8-13(19)20-12(11)10-23/h7-8H,9-10H2,1-6H3,(H,21,22,24,25)
InChIKey DOXLREIXQAGCGQ-UHFFFAOYSA-N
Mol Weight 396.88 g/mol
Molecular Formula C18H25ClN4O4
Exact Mass 396.156433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGHQHsdL682
Name [tert-Butoxycarbonylimino-2-chloro-5,7-dihydro-pyrrolo[3,4-b]pyridine-6-ylmethyl]carbamic acid tert-butyl ester
Alternate Name(s) tert-Butyl (Z)-[(tert-butoxycarbonyl)amino](2-chloro-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methylidenecarbamate [tert-Butylcarbonylimino-2-chloro-5,7-dihydro-pyrrolo[3,4-b]pyridine-6-ylmethyl]carbamic acid tert-butyl ester
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Formula C18H25ClN4O4
InChI InChI=1S/C18H25ClN4O4/c1-17(2,3)26-15(24)21-14(22-16(25)27-18(4,5)6)23-9-11-7-8-13(19)20-12(11)10-23/h7-8H,9-10H2,1-6H3,(H,21,22,24,25)
InChIKey DOXLREIXQAGCGQ-UHFFFAOYSA-N
Molecular Weight 396.875 g/mol
SMILES N(\C(=N\C(OC(C)(C)C)=O)N1Cc2ccc(nc2C1)Cl)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9431000000-e5c0087b03c2e28d0d10
Source of Spectrum QC-25-926-11
Wiley ID 1584301