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Methyl 3-phenylthiohomoadamantane-4-carboxylate
SpectraBase Compound ID GnPfTbX0OwQ
InChI InChI=1S/C19H24O2S/c1-21-18(20)17-10-13-7-14-9-15(8-13)12-19(17,11-14)22-16-5-3-2-4-6-16/h2-6,13-15,17H,7-12H2,1H3/t13-,14+,15-,17?,19-
InChIKey ZTSFVEGMYVJVGP-YLWMKIEOSA-N
Mol Weight 316.46 g/mol
Molecular Formula C19H24O2S
Exact Mass 316.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BEk1Rv8dzq
Name Methyl 3-phenylthiohomoadamantane-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O2S
InChI InChI=1S/C19H24O2S/c1-21-18(20)17-10-13-7-14-9-15(8-13)12-19(17,11-14)22-16-5-3-2-4-6-16/h2-6,13-15,17H,7-12H2,1H3/t13-,14+,15-,17?,19-
InChIKey ZTSFVEGMYVJVGP-YLWMKIEOSA-N
Molecular Weight 316.459 g/mol
SMILES [C@]12(C(C(=O)OC)C[C@@]3(C[C@](C2)(C[C@](C1)(C3)[H])[H])[H])Sc1ccccc1
SPLASH splash10-0a4i-0391000000-4e6c132101c4ccc02e53
Source of Spectrum C-118-7082-37
Synonyms Methyl 3-(phenylsulfanyl)tricyclo[4.3.1.1(3,8)]undecane-4-carboxylate
Wiley ID 759664