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Furo-pyrrolo-[isoquinoline]

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Furo-pyrrolo-[isoquinoline]
SpectraBase Compound ID QhhsJ9j46P
InChI InChI=1S/C14H13NO3/c16-12-7-11-14(8-13(17)18-11)10-4-2-1-3-9(10)5-6-15(12)14/h1-4,11H,5-8H2/t11-,14+/m0/s1
InChIKey VVLCOLJLYBJYOX-SMDDNHRTSA-N
Mol Weight 243.26 g/mol
Molecular Formula C14H13NO3
Exact Mass 243.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IHyNVp1FQdO
Name Furo-pyrrolo-[isoquinoline]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.089543280 u
Formula C14H13NO3
InChI InChI=1S/C14H13NO3/c16-12-7-11-14(8-13(17)18-11)10-4-2-1-3-9(10)5-6-15(12)14/h1-4,11H,5-8H2/t11-,14+/m0/s1
InChIKey VVLCOLJLYBJYOX-SMDDNHRTSA-N
Molecular Weight 243.262 g/mol
SMILES [C@@]123N(C(=O)C[C@@]3(OC(C1)=O)[H])CCC1=C2C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854804