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Spirasineol-B

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

Spirasineol-B
SpectraBase Compound ID AVK2iKiIi9n
InChI InChI=1S/C27H28O4/c1-27(2)13-12-19-18-8-9-21-22(14-16-4-6-17(28)7-5-16)25(30-3)15-23(29)26(21)20(18)10-11-24(19)31-27/h4-7,10-11,15,28-29H,8-9,12-14H2,1-3H3
InChIKey QIXBWUHRQJSXBR-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C27H28O4
Exact Mass 416.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I3jBpVMJK8T
Name Spirasineol-B
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.198759378 u
Formula C27H28O4
InChI InChI=1S/C27H28O4/c1-27(2)13-12-19-18-8-9-21-22(14-16-4-6-17(28)7-5-16)25(30-3)15-23(29)26(21)20(18)10-11-24(19)31-27/h4-7,10-11,15,28-29H,8-9,12-14H2,1-3H3
InChIKey QIXBWUHRQJSXBR-UHFFFAOYSA-N
Molecular Weight 416.517 g/mol
SMILES C=12C3=C(C(CC4=CC=C(C=C4)O)=C(C=C3O)OC)CCC1C=1CCC(OC1C=C2)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881191