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Bicyclo[2.2.1]heptan-2-ol, 1-iodo-, 4-methylbenzenesulfonate, endo-
SpectraBase Compound ID 7Q4WFM1VVgy
InChI InChI=1S/C14H17IO3S/c1-10-2-4-12(5-3-10)19(16,17)18-13-8-11-6-7-14(13,15)9-11/h2-5,11,13H,6-9H2,1H3/t11-,13+,14+/m0/s1
InChIKey DJYJJRUBFSPYMG-IACUBPJLSA-N
Mol Weight 392.25 g/mol
Molecular Formula C14H17IO3S
Exact Mass 391.994311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cSBx8lRBMm
Name Bicyclo[2.2.1]heptan-2-ol, 1-iodo-, 4-methylbenzenesulfonate, endo-
Alternate Name(s) Bicyclo[2.2.1]heptan-2-ol, 1-iodo-, 4-methylbenzenesulfonate, exo- 1-iodobicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate Ester of p-toluolsulfonic acid[1-iodo-2endo-norbornyl] Ester of p-toluolsulfonic acid[1-iodo-2exo-norbornyl]
CAS Registry Number 85843-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17IO3S
InChI InChI=1S/C14H17IO3S/c1-10-2-4-12(5-3-10)19(16,17)18-13-8-11-6-7-14(13,15)9-11/h2-5,11,13H,6-9H2,1H3/t11-,13+,14+/m0/s1
InChIKey DJYJJRUBFSPYMG-IACUBPJLSA-N
Molecular Weight 392.251 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)([C@@]2(C[C@](C1)(CC2)[H])I)[H]
SPLASH splash10-052f-7901000000-7d6ed42f5d8afd78eaa0
Source of Spectrum H-66-173-0
Wiley ID 1365549