SpectraBase Compound ID | 70ozPTJCLRn |
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InChI | InChI=1S/C19H24O8/c1-11-16(25-12(2)20)17(26-13(3)21)18(27-14(4)22)19(24-11)23-10-15-8-6-5-7-9-15/h5-9,11,16-19H,10H2,1-4H3/t11-,16-,17-,18-,19+/m1/s1 |
InChIKey | HJEZYHYUFLWLLL-UHFFFAOYSA-N |
Mol Weight | 380.39 g/mol |
Molecular Formula | C19H24O8 |
Exact Mass | 380.147118 g/mol |
SpectraBase Spectrum ID | 6sAAVnhJ7AR |
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Name | Acetic acid, 3,5-diacetoxy-2-benzyloxy-6-methyltetrahydropyran-4-yl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 380.147117725 u |
Formula | C19H24O8 |
InChI | InChI=1S/C19H24O8/c1-11-16(25-12(2)20)17(26-13(3)21)18(27-14(4)22)19(24-11)23-10-15-8-6-5-7-9-15/h5-9,11,16-19H,10H2,1-4H3 |
InChIKey | HJEZYHYUFLWLLL-UHFFFAOYSA-N |
Molecular Weight | 380.393 g/mol |
SMILES | C1(C(OC(C(C1OC(C)=O)OC(C)=O)OCc1ccccc1)C)OC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929965 |