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Verimol A

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

Verimol A
SpectraBase Compound ID ID4JoN9dXAS
InChI InChI=1S/C18H20O5/c1-12(17(19)13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3/t12-,17+/m0/s1
InChIKey MHJLKHNHGMUAPQ-YVEFUNNKSA-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 BO1Q55rM3lz
Name Verimol A
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/c1-12(17(19)13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3/t12-,17+/m0/s1
InChIKey MHJLKHNHGMUAPQ-YVEFUNNKSA-N
Molecular Weight 316.353 g/mol
SMILES C(O[C@]([C@](C1=CC=C(C=C1)OC)(O)[H])(C)[H])(C=1C=CC(=CC1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919432