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2-Propenoic acid, 2-azido-3-(5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)-, 1,1-dimethylethyl ester
SpectraBase Compound ID I2zXq2Vuz1V
InChI InChI=1S/C16H16N4O3/c1-16(2,3)23-15(22)13(18-19-17)10-12-9-8-11-6-4-5-7-14(21)20(11)12/h4-10H,1-3H3/b13-10-
InChIKey FURAVCPUEBGIQM-RAXLEYEMSA-N
Mol Weight 312.33 g/mol
Molecular Formula C16H16N4O3
Exact Mass 312.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eibCwmsT2D
Name 2-Propenoic acid, 2-azido-3-(5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)-, 1,1-dimethylethyl ester
Alternate Name(s) 5H-pyrrolo[1,2-a]azepine, 2-propenoic acid deriv. tert-Butyl (2Z)-2-azido-3-(5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)-2-propenoate TertbUtylester of 2-azido-3-(5-oxo-5H-pyrolo(1,2-a)agepin-3-yl)proparoic acid
CAS Registry Number 72649-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4O3
InChI InChI=1S/C16H16N4O3/c1-16(2,3)23-15(22)13(18-19-17)10-12-9-8-11-6-4-5-7-14(21)20(11)12/h4-10H,1-3H3/b13-10-
InChIKey FURAVCPUEBGIQM-RAXLEYEMSA-N
Molecular Weight 312.329 g/mol
SMILES c1([n]2C(C=CC=Cc2cc1)=O)\C=C\(C(OC(C)(C)C)=O)N=[N+]=[N-]
SPLASH splash10-0a4i-9771000000-5fa6b739fd64775333a8
Source of Spectrum K-112-3586-0
Wiley ID 1313108