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1-Adamantanol 4-bromobenzoate
SpectraBase Compound ID 9BxbiKK1eLs
InChI InChI=1S/C17H19BrO2/c18-15-3-1-14(2-4-15)16(19)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17-
InChIKey QDPMLSOKZVJLRG-FBBPANFNSA-N
Mol Weight 335.24 g/mol
Molecular Formula C17H19BrO2
Exact Mass 334.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeVv1hehl9p
Name 1-Adamantanol 4-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19BrO2
InChI InChI=1S/C17H19BrO2/c18-15-3-1-14(2-4-15)16(19)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17-
InChIKey QDPMLSOKZVJLRG-FBBPANFNSA-N
Literature Reference DOI 10.1039/C4RA14586K
Molecular Weight 335.241 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C3)OC(=O)c1ccc(cc1)Br)[H])[H])[H]
SPLASH splash10-001u-5900000000-d28b5a8c02452db5ad93
Source of Spectrum RSA-5-7232/SM5-3g
Synonyms (3s,5s,7s)-adamantan-1-yl 4-bromobenzoate
Wiley ID 1805502