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2-{2,6-bis(bicyclo[4.1.0]heptan-7-ylmethyl)phenyl}pyridine
SpectraBase Compound ID DKJwv10fJjY
InChI InChI=1S/C27H33N/c1-2-11-21-20(10-1)24(21)16-18-8-7-9-19(27(18)26-14-5-6-15-28-26)17-25-22-12-3-4-13-23(22)25/h5-9,14-15,20-25H,1-4,10-13,16-17H2/t20-,21+,22-,23+,24-,25-
InChIKey REUASGXNDRTAJB-CQGSJTOESA-N
Mol Weight 371.6 g/mol
Molecular Formula C27H33N
Exact Mass 371.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqbGhgDgfm1
Name 2-{2,6-bis(bicyclo[4.1.0]heptan-7-ylmethyl)phenyl}pyridine
Alternate Name(s) 2-(2,6-bis((1R,6S,7s)-bicyclo[4.1.0]heptan-7-ylmethyl)phenyl)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33N
InChI InChI=1S/C27H33N/c1-2-11-21-20(10-1)24(21)16-18-8-7-9-19(27(18)26-14-5-6-15-28-26)17-25-22-12-3-4-13-23(22)25/h5-9,14-15,20-25H,1-4,10-13,16-17H2/t20-,21+,22-,23+,24-,25-
InChIKey REUASGXNDRTAJB-CQGSJTOESA-N
Literature Reference DOI 10.1021/ol402037f
Molecular Weight 371.568 g/mol
SMILES c1ccnc(c1)-c1c(cccc1C[C@]1([C@]2([C@@]1(CCCC2)[H])[H])[H])C[C@]1([C@]2([C@@]1(CCCC2)[H])[H])[H]
SPLASH splash10-0a4i-3691000000-eb870b640492500578d7
Source of Spectrum A1-15-4482/SMS12-7ac
Wiley ID 1749044