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1-Azabicyclo[2.2.1]hept-5-en-2-ol, 4-methylbenzenesulfonate (ester), exo-
SpectraBase Compound ID EoyXQPYPyah
InChI InChI=1S/C13H15NO3S/c1-10-2-4-12(5-3-10)18(15,16)17-13-8-11-6-7-14(13)9-11/h2-7,11,13H,8-9H2,1H3/t11-,13+/m0/s1
InChIKey XELOGKDBMJKUJM-WCQYABFASA-N
Mol Weight 265.33 g/mol
Molecular Formula C13H15NO3S
Exact Mass 265.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ka2WWQiBYYf
Name 1-Azabicyclo[2.2.1]hept-5-en-2-ol, 4-methylbenzenesulfonate (ester), exo-
CAS Registry Number 85689-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3S
InChI InChI=1S/C13H15NO3S/c1-10-2-4-12(5-3-10)18(15,16)17-13-8-11-6-7-14(13)9-11/h2-7,11,13H,8-9H2,1H3/t11-,13+/m0/s1
InChIKey XELOGKDBMJKUJM-WCQYABFASA-N
Molecular Weight 265.327 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)(N2C=C[C@@](C1)(C2)[H])[H]
SPLASH splash10-06xx-6940000000-13933ea810470348dade
Source of Spectrum K-116-1093-0
Synonyms 1-Azabicyclo[2.2.1]hept-5-en-2-yl 4-methylbenzenesulfonate exo-6-(4-methylphenylsulfonyloxy)-1-azabicyclo[2.2.1]hept-2-ene
Wiley ID 1268817