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Acetic acid, 6-iodo-9-oxa-bicyclo[3.3.1]non-2-yl ester

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Acetic acid, 6-iodo-9-oxa-bicyclo[3.3.1]non-2-yl ester
SpectraBase Compound ID A3HFfW0USL7
InChI InChI=1S/C10H15IO3/c1-6(12)13-9-5-4-8-7(11)2-3-10(9)14-8/h7-10H,2-5H2,1H3/t7-,8-,9+,10+/m1/s1
InChIKey APOQGAMGVSAKHT-IMSYWVGJSA-N
Mol Weight 310.13 g/mol
Molecular Formula C10H15IO3
Exact Mass 310.006589 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D9c08AgJPxa
Name Acetic acid, 6-iodo-9-oxabicyclo[3.3.1]non-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.006589340 u
Formula C10H15IO3
InChI InChI=1S/C10H15IO3/c1-6(12)13-9-5-4-8-7(11)2-3-10(9)14-8/h7-10H,2-5H2,1H3/t7-,8-,9+,10+/m1/s1
InChIKey APOQGAMGVSAKHT-IMSYWVGJSA-N
Molecular Weight 310.131 g/mol
SMILES [C@@]1(I)([C@]2(CC[C@@]([C@](CC1)(O2)[H])(OC(=O)C)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924774