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5H-Oxireno[g][2]benzopyran-5-one, octahydro-7-hydroxy-2a-[(phenylmethoxy)methyl]-, (1a.alpha.,2a.beta.,6a.beta.,7.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 3DiIXdRVvWG
InChI InChI=1S/C17H20O5/c18-13-7-17(9-20-8-11-4-2-1-3-5-11)10-21-14(19)6-12(17)15-16(13)22-15/h1-5,12-13,15-16,18H,6-10H2/t12-,13+,15-,16+,17+/m0/s1
InChIKey GOQWRPATEAPSJL-GMBUGEKQSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AtB0WhV2jsO
Name 5H-Oxireno[G][2]benzopyran-5-one, octahydro-7-hydroxy-2A-[(phenylmethoxy)methyl]-, (1A.alpha.,2A.beta.,6A.beta.,7.alpha.,7A.alpha.)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.131073739 u
Formula C17H20O5
InChI InChI=1S/C17H20O5/c18-13-7-17(9-20-8-11-4-2-1-3-5-11)10-21-14(19)6-12(17)15-16(13)22-15/h1-5,12-13,15-16,18H,6-10H2/t12-,13+,15-,16+,17+/m0/s1
InChIKey GOQWRPATEAPSJL-GMBUGEKQSA-N
Molecular Weight 304.342 g/mol
SMILES [C@@]12([C@@]([C@](O)(C[C@@]3([C@]2(CC(OC3)=O)[H])COCC=2C=CC=CC2)[H])(O1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940605