(1S,2S,4S,5S)-bis-(3H-isobenzofuran-1-ylidene)-bicyclo[2.2.1]heptane-2,5-diamine

SpectraBase Compound ID	1ia7u6B9uz5
InChI	InChI=1S/C23H22N2O2/c24-20-17-9-16(18(20)22-14-7-3-1-5-12(14)10-26-22)21(25)19(17)23-15-8-4-2-6-13(15)11-27-23/h1-8,16-17,20-21H,9-11,24-25H2/b22-18+,23-19+/t16-,17-,20-,21-/m0/s1
InChIKey	AKLPGELPYNFBEQ-DQHKXXJESA-N Google Search
Mol Weight	358.44 g/mol
Molecular Formula	C23H22N2O2
Exact Mass	358.168128 g/mol

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SpectraBase Spectrum ID	KtAPpvB03A0
Name	(1S,2S,4S,5S)-bis-(3H-Isobenzofuran-1-ylidene)-bicyclo[2.2.1]heptane-2,5-diamine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	358.168127954 u
Formula	C23H22N2O2
InChI	InChI=1S/C23H22N2O2/c24-20-17-9-16(18(20)22-14-7-3-1-5-12(14)10-26-22)21(25)19(17)23-15-8-4-2-6-13(15)11-27-23/h1-8,16-17,20-21H,9-11,24-25H2/b22-18+,23-19+/t16-,17-,20-,21-/m0/s1
InChIKey	AKLPGELPYNFBEQ-DQHKXXJESA-N
Molecular Weight	358.441 g/mol
SMILES	C1O\C(=C/2[C@]3([C@](N)(\C([C@]([C@@]2(N)[H])([H])C3)=C/2OCC3=C2C=CC=C3)[H])[H])C2=C1C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.87262