2-Methoxy-7,8,11,12-tetrahydro[7]helicene

SpectraBase Compound ID	IHpvrFca4xb
InChI	InChI=1S/C31H24O/c1-32-25-17-16-20-7-9-22-11-13-24-15-14-23-12-10-21-8-6-19-4-2-3-5-26(19)28(21)30(23)31(24)29(22)27(20)18-25/h2-9,14-18H,10-13H2,1H3
InChIKey	PFTJNZRQARCJND-UHFFFAOYSA-N Google Search
Mol Weight	412.53 g/mol
Molecular Formula	C31H24O
Exact Mass	412.182715 g/mol

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SpectraBase Spectrum ID	Kg7TbPbFd1F
Name	2-Methoxy-7,8,11,12-tetrahydro[7]helicene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	412.182715392 u
Formula	C31H24O
InChI	InChI=1S/C31H24O/c1-32-25-17-16-20-7-9-22-11-13-24-15-14-23-12-10-21-8-6-19-4-2-3-5-26(19)28(21)30(23)31(24)29(22)27(20)18-25/h2-9,14-18H,10-13H2,1H3
InChIKey	PFTJNZRQARCJND-UHFFFAOYSA-N
Molecular Weight	412.532 g/mol
SMILES	C=12C=3C=4C5=C(C=CC=C5)C=CC4CCC3C=CC1CCC1=C2C2=C(C=CC(=C2)OC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.948428