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3-(adamantan-1-yl)-4-bromo-5-methoxyphenol
SpectraBase Compound ID E8sYpQSOtGF
InChI InChI=1S/C17H21BrO2/c1-20-15-6-13(19)5-14(16(15)18)17-7-10-2-11(8-17)4-12(3-10)9-17/h5-6,10-12,19H,2-4,7-9H2,1H3/t10-,11+,12-,17-
InChIKey IQFIJCXBFIDCTO-KVMGNAQRSA-N
Mol Weight 337.26 g/mol
Molecular Formula C17H21BrO2
Exact Mass 336.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39bQlAuQRoa
Name 3-(adamantan-1-yl)-4-bromo-5-methoxyphenol
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.072492914 u
Formula C17H21BrO2
InChI InChI=1S/C17H21BrO2/c1-20-15-6-13(19)5-14(16(15)18)17-7-10-2-11(8-17)4-12(3-10)9-17/h5-6,10-12,19H,2-4,7-9H2,1H3/t10-,11+,12-,17-
InChIKey IQFIJCXBFIDCTO-KVMGNAQRSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201609635
Molecular Weight 337.257 g/mol
SMILES OC1=CC(C23C[C@]4(C[C@](C[C@@](C3)(C4)[H])(C2)[H])[H])=C(C(=C1)OC)Br
SPLASH splash10-000i-0069000000-30a605d7ba2f583881d9
Source of Spectrum ACI-56-SM10-10-1 (DOI: 10.1002/anie.201609635)
Thin-Layer Chromatography 0.21 (Hexane/EtOAc, 10:1)
Wiley ID 1892859