(2S)-6-bromo-7-methoxy-2-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[de]chromene

SpectraBase Compound ID	CUENaIIpz07
InChI	InChI=1S/C18H17BrO2/c1-20-16-10-15-17-12(7-8-13(17)18(16)19)9-14(21-15)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3/t12?,14-/m0/s1
InChIKey	FRHPYZDVKZLRJA-PYMCNQPYSA-N Google Search
Mol Weight	345.24 g/mol
Molecular Formula	C18H17BrO2
Exact Mass	344.041193 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	CKSzNQJwy4n
Name	(2S)-6-Bromo-7-methoxy-2-phenyl-3,3A,4,5-tetrahydro-2H-cyclopenta[de]chromene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	344.041192785 u
Formula	C18H17BrO2
InChI	InChI=1S/C18H17BrO2/c1-20-16-10-15-17-12(7-8-13(17)18(16)19)9-14(21-15)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3/t12?,14-/m0/s1
InChIKey	FRHPYZDVKZLRJA-PYMCNQPYSA-N
Molecular Weight	345.236 g/mol
SMILES	C1(=C(C=C2C=3C(CCC13)C[C@](O2)(C1=CC=CC=C1)[H])OC)Br
Spectrum/Structure Validation Score (Vapor Phase IR)	0.828501