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(3ar,5ar,8as,8bs)-8-(4-Benzyloxybenzoyl)-2,2-dimethylhexahydro-[1,3]dioxolo[4',5':3,4]benzo[2,1-D]oxazol-7-one

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

(3ar,5ar,8as,8bs)-8-(4-Benzyloxybenzoyl)-2,2-dimethylhexahydro-[1,3]dioxolo[4',5':3,4]benzo[2,1-D]oxazol-7-one
SpectraBase Compound ID 45yOzW9hTWI
InChI InChI=1S/C24H25NO6/c1-24(2)30-19-13-12-18-20(21(19)31-24)25(23(27)29-18)22(26)16-8-10-17(11-9-16)28-14-15-6-4-3-5-7-15/h3-11,18-21H,12-14H2,1-2H3/t18-,19-,20+,21-/m1/s1
InChIKey JZBYVNRAIJNTFE-MXEMCNAFSA-N
Mol Weight 423.47 g/mol
Molecular Formula C24H25NO6
Exact Mass 423.168188 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BcuepbrFM0H
Name (3ar,5ar,8as,8bs)-8-(4-Benzyloxybenzoyl)-2,2-dimethylhexahydro-[1,3]dioxolo[4',5':3,4]benzo[2,1-D]oxazol-7-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.168187523 u
Formula C24H25NO6
InChI InChI=1S/C24H25NO6/c1-24(2)30-19-13-12-18-20(21(19)31-24)25(23(27)29-18)22(26)16-8-10-17(11-9-16)28-14-15-6-4-3-5-7-15/h3-11,18-21H,12-14H2,1-2H3/t18-,19-,20+,21-/m1/s1
InChIKey JZBYVNRAIJNTFE-MXEMCNAFSA-N
Molecular Weight 423.465 g/mol
SMILES C1(N([C@]2([C@](O1)(CC[C@]1(OC(O[C@@]21[H])(C)C)[H])[H])[H])C(C1=CC=C(OCC=2C=CC=CC2)C=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860883