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Pulchelstyrene C

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

Pulchelstyrene C
SpectraBase Compound ID 3L7vz7JyBkq
InChI InChI=1S/C18H20O5/c1-21-15-10-8-13(18(23-3)17(15)20)6-4-5-12-7-9-14(19)16(11-12)22-2/h4,6-11,19-20H,5H2,1-3H3/b6-4-
InChIKey VNKBHCHOGRIOTN-XQRVVYSFSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4B2kze3gNbi
Name Pulchelstyrene C
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.131073739 u
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-21-15-10-8-13(18(23-3)17(15)20)6-4-5-12-7-9-14(19)16(11-12)22-2/h4,6-11,19-20H,5H2,1-3H3/b6-4-
InChIKey VNKBHCHOGRIOTN-XQRVVYSFSA-N
Molecular Weight 316.353 g/mol
SMILES C=1(C(=C(\C=C/CC2=CC(OC)=C(C=C2)O)C=CC1OC)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964596