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(3R,4R)-4-cyanotricyclo[3.1.0.0(2,6)]hex-3-yl 4-methylbenzenesulfonate
SpectraBase Compound ID 8nVmRm2C38d
InChI InChI=1S/C14H13NO3S/c1-7-2-4-8(5-3-7)19(16,17)18-14-9(6-15)10-11-12(10)13(11)14/h2-5,9-14H,1H3/t9-,10-,11+,12-,13+,14-/m0/s1
InChIKey ZJNSJXJJPSRVCE-VPCRRHSYSA-N
Mol Weight 275.32 g/mol
Molecular Formula C14H13NO3S
Exact Mass 275.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gk4o8miy0AZ
Name (3R,4R)-4-cyanotricyclo[3.1.0.0(2,6)]hex-3-yl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO3S
InChI InChI=1S/C14H13NO3S/c1-7-2-4-8(5-3-7)19(16,17)18-14-9(6-15)10-11-12(10)13(11)14/h2-5,9-14H,1H3/t9-,10-,11+,12-,13+,14-/m0/s1
InChIKey ZJNSJXJJPSRVCE-VPCRRHSYSA-N
Literature Reference DOI 10.1002/cber.19861190318
Molecular Weight 275.322 g/mol
SMILES [C@]1(OS(=O)(=O)c2ccc(cc2)C)([C@]2([C@@]3([C@]2([C@@]3([C@@]1(C#N)[H])[H])[H])[H])[H])[H]
SPLASH splash10-0006-9200000000-2151f4c3601fe823eaac
Source of Spectrum K-119-957-957_1
Synonyms (3R,4R)-4-cyanotricyclo[3.1.0.0(2,6)]hexan-3-yl 4-methylbenzenesulfonate
Wiley ID 1794465