SpectraBase Compound ID | GJSmkrpUdNn |
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InChI | InChI=1S/C18H25IO4/c1-4-6-16(13(2)3)23-18(21)10-9-17(20)22-12-14-7-5-8-15(19)11-14/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3 |
InChIKey | RJAZZWWYQOICNU-UHFFFAOYSA-N |
Mol Weight | 432.3 g/mol |
Molecular Formula | C18H25IO4 |
Exact Mass | 432.079754 g/mol |
SpectraBase Spectrum ID | Ed5SQkQLv5h |
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Name | Succinic acid, 3-iodobenzyl 2-methylhex-3-yl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 432.079754281 u |
Formula | C18H25IO4 |
InChI | InChI=1S/C18H25IO4/c1-4-6-16(13(2)3)23-18(21)10-9-17(20)22-12-14-7-5-8-15(19)11-14/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3 |
InChIKey | RJAZZWWYQOICNU-UHFFFAOYSA-N |
Molecular Weight | 432.298 g/mol |
SMILES | C(CCC(OCC1=CC=CC(=C1)I)=O)(OC(CCC)C(C)C)=O |