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[(2R,4aR,5aR,6R,11aR,12R,12aR)-4a,5a,6,11a,12,12a-Hexahydro-2-phenyl-2H,4H-[1,3]dioxino-[4',5',5,6]pyrano[3,2-b][1]benzopyran-6,12-diyl]-diacetate

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

[(2R,4aR,5aR,6R,11aR,12R,12aR)-4a,5a,6,11a,12,12a-Hexahydro-2-phenyl-2H,4H-[1,3]dioxino-[4',5',5,6]pyrano[3,2-b][1]benzopyran-6,12-diyl]-diacetate
SpectraBase Compound ID Fs3YHsyId1V
InChI InChI=1S/C24H24O8/c1-13(25)28-19-16-10-6-7-11-17(16)30-23-21(19)31-18-12-27-24(15-8-4-3-5-9-15)32-20(18)22(23)29-14(2)26/h3-11,18-24H,12H2,1-2H3/t18-,19-,20-,21-,22+,23-,24-/m1/s1
InChIKey RFAAKJSMLHKWFW-YFHVVFTDSA-N
Mol Weight 440.45 g/mol
Molecular Formula C24H24O8
Exact Mass 440.147118 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CtnTEw38qpz
Name [(2R,4ar,5ar,6R,11Ar,12R,12AR)-4A,5A,6,11A,12,12A-hexahydro-2-phenyl-2H,4H-[1,3]dioxino-[4',5',5,6]pyrano[3,2-B][1]benzopyran-6,12-diyl]-diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.147117725 u
Formula C24H24O8
InChI InChI=1S/C24H24O8/c1-13(25)28-19-16-10-6-7-11-17(16)30-23-21(19)31-18-12-27-24(15-8-4-3-5-9-15)32-20(18)22(23)29-14(2)26/h3-11,18-24H,12H2,1-2H3/t18-,19-,20-,21-,22+,23-,24-/m1/s1
InChIKey RFAAKJSMLHKWFW-YFHVVFTDSA-N
Molecular Weight 440.448 g/mol
SMILES [C@@]12([C@](O[C@]3([C@]([C@@]2(OC(=O)C)[H])(O[C@](C=2C=CC=CC2)(OC3)[H])[H])[H])([C@](OC(=O)C)(C=2C(O1)=CC=CC2)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930292