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1-Butoxy-6,9-dihydro-2-methoxy-5H-benzocyclohepten-5-ol

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

1-Butoxy-6,9-dihydro-2-methoxy-5H-benzocyclohepten-5-ol
SpectraBase Compound ID J45BGoLPKSe
InChI InChI=1S/C16H22O3/c1-3-4-11-19-16-13-7-5-6-8-14(17)12(13)9-10-15(16)18-2/h5-6,9-10,14,17H,3-4,7-8,11H2,1-2H3
InChIKey BNEIEFLFVMENGU-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DuSQgmz9Osl
Name 1-Butoxy-6,9-dihydro-2-methoxy-5H-benzocyclohepten-5-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.156894565 u
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-3-4-11-19-16-13-7-5-6-8-14(17)12(13)9-10-15(16)18-2/h5-6,9-10,14,17H,3-4,7-8,11H2,1-2H3
InChIKey BNEIEFLFVMENGU-UHFFFAOYSA-N
Molecular Weight 262.349 g/mol
SMILES C1(=C(C2=C(C=C1)C(CC=CC2)O)OCCCC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919411