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Acetic acid, 5H-pyrrolo[1,2-a]azepin-5-ylidene-, 1,1-dimethylethyl ester
SpectraBase Compound ID KnKfttNJj5D
InChI InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)11-13-8-5-4-7-12-9-6-10-16(12)13/h4-11H,1-3H3/b13-11+
InChIKey GFFGFGFPLYTUFA-ACCUITESSA-N
Mol Weight 243.31 g/mol
Molecular Formula C15H17NO2
Exact Mass 243.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WdRiXWrC9j
Name Acetic acid, 5H-pyrrolo[1,2-a]azepin-5-ylidene-, 1,1-dimethylethyl ester
Alternate Name(s) 5-Cyanazepino[2,1,7-cd]pyrrolizinium-perchlorate 5H-pyrrolo[1,2-a]azepine, acetic acid deriv. tert-Butyl (2E)-5H-pyrrolo[1,2-a]azepin-5-ylideneethanoate
CAS Registry Number 73608-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO2
InChI InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)11-13-8-5-4-7-12-9-6-10-16(12)13/h4-11H,1-3H3/b13-11+
InChIKey GFFGFGFPLYTUFA-ACCUITESSA-N
Molecular Weight 243.306 g/mol
SMILES C(\C=C\1[n]2c(C=CC=C1)ccc2)(OC(C)(C)C)=O
SPLASH splash10-000i-0900000000-c32e78eab54c82fd4d67
Source of Spectrum K-116-1179-0
Wiley ID 1246151