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8,9-dihydro-2,3,4-trimethoxy-7H-benzocycloheptene-5-acetic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

8,9-dihydro-2,3,4-trimethoxy-7H-benzocycloheptene-5-acetic acid
SpectraBase Compound ID 4FuI09n9O64
InChI InChI=1S/C16H20O5/c1-19-12-8-10-6-4-5-7-11(9-13(17)18)14(10)16(21-3)15(12)20-2/h7-8H,4-6,9H2,1-3H3,(H,17,18)
InChIKey QWRHVJDUJHVUOO-UHFFFAOYSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3H6MjfPd0xv
Name 8,9-Dihydro-2,3,4-trimethoxy-7H-benzocycloheptene-5-acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.131073739 u
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-19-12-8-10-6-4-5-7-11(9-13(17)18)14(10)16(21-3)15(12)20-2/h7-8H,4-6,9H2,1-3H3,(H,17,18)
InChIKey QWRHVJDUJHVUOO-UHFFFAOYSA-N
Molecular Weight 292.331 g/mol
SMILES OC(CC1=CCCCC2=CC(=C(C(=C12)OC)OC)OC)=O
Spectrum/Structure Validation Score (Raman) 0.955268