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1-Adamantanol 2-chlorobenzoate
SpectraBase Compound ID KwfOYBYn1YT
InChI InChI=1S/C17H19ClO2/c18-15-4-2-1-3-14(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 CJFAZCQOKWPZRH-FBBPANFNSA-N
Mol Weight 290.79 g/mol
Molecular Formula C17H19ClO2
Exact Mass 290.107358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zHG1oFhDdD
Name 1-Adamantanol 2-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO2
InChI InChI=1S/C17H19ClO2/c18-15-4-2-1-3-14(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 CJFAZCQOKWPZRH-FBBPANFNSA-N
Literature Reference DOI 10.1039/C4RA14586K
Molecular Weight 290.790 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C3)OC(=O)c1c(cccc1)Cl)[H])[H])[H]
SPLASH splash10-001r-1900000000-59a8c54f908cc1301148
Source of Spectrum RSA-5-7232/SM4-3c
Synonyms (3s,5s,7s)-adamantan-1-yl 2-chlorobenzoate
Wiley ID 1805498