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trans-4-Phenyl-5-[.alpha.-ethoxy(4-bromobenzyl)]-3-oxacyclo[3.1.0]hexane
SpectraBase Compound ID 5uBUmZq9Qnz
InChI InChI=1S/C20H21BrO2/c1-2-22-18(15-8-10-17(21)11-9-15)20-12-16(20)13-23-19(20)14-6-4-3-5-7-14/h3-11,16,18-19H,2,12-13H2,1H3/t16-,18-,19?,20+/m0/s1
InChIKey KHBKMICHMFNLFS-UDLHLFEOSA-N
Mol Weight 373.29 g/mol
Molecular Formula C20H21BrO2
Exact Mass 372.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32ZGirCrO9u
Name trans-4-Phenyl-5-[.alpha.-ethoxy(4-bromobenzyl)]-3-oxacyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrO2
InChI InChI=1S/C20H21BrO2/c1-2-22-18(15-8-10-17(21)11-9-15)20-12-16(20)13-23-19(20)14-6-4-3-5-7-14/h3-11,16,18-19H,2,12-13H2,1H3/t16-,18-,19?,20+/m0/s1
InChIKey KHBKMICHMFNLFS-UDLHLFEOSA-N
Molecular Weight 373.290 g/mol
SMILES [C@@]12([C@](COC2c2ccccc2)(C1)[H])[C@](c1ccc(cc1)Br)(OCC)[H]
SPLASH splash10-05fs-0951000000-08c96cde291030d2f9a6
Source of Spectrum F-66-4553-3f'
Wiley ID 1683896