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(2R,4S)-4-(4-(allyloxy)phenyl)-2-(4-bromophenyl)-6-methoxychroman
SpectraBase Compound ID 9xFGqpAIXdw
InChI InChI=1S/C26H26O3/c1-4-15-28-21-11-9-19(10-12-21)23-17-26(20-7-5-18(2)6-8-20)29-25-14-13-22(27-3)16-24(23)25/h4-14,16,23,26H,1,15,17H2,2-3H3/t23-,26+/m0/s1
InChIKey NMQFYKIFBPUAMK-JYFHCDHNSA-N
Mol Weight 386.49 g/mol
Molecular Formula C26H26O3
Exact Mass 386.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kvs0hGOMtoL
Name (2R,4S)-4-(4-(allyloxy)phenyl)-2-(4-bromophenyl)-6-methoxychroman
Alternate Name(s) (2R,4S)-4-(4-(allyloxy)phenyl)-6-methoxy-2-(p-tolyl)chroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O3
InChI InChI=1S/C26H26O3/c1-4-15-28-21-11-9-19(10-12-21)23-17-26(20-7-5-18(2)6-8-20)29-25-14-13-22(27-3)16-24(23)25/h4-14,16,23,26H,1,15,17H2,2-3H3/t23-,26+/m0/s1
InChIKey NMQFYKIFBPUAMK-JYFHCDHNSA-N
Literature Reference DOI 10.1002/anie.201409850
Molecular Weight 386.491 g/mol
SMILES c1(ccc2O[C@@](c3ccc(cc3)C)(C[C@](c2c1)(c1ccc(cc1)OCC=C)[H])[H])OC
SPLASH splash10-000b-6090000000-7c7ecf742f99a0f99bb5
Source of Spectrum ACI-54-5762/SMS8-3p
Wiley ID 1761103