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(2S*,3R*,4S*,5S*)-3-[(S)-(2'-Methoxy-2'-phenylacetoxy)]-4-ethyltricyclo[4.2.1.0(2,5)]non-7-ene
SpectraBase Compound ID 8eGYrelCqiN
InChI InChI=1S/C20H24O3/c1-3-15-16-13-9-10-14(11-13)17(16)19(15)23-20(21)18(22-2)12-7-5-4-6-8-12/h4-10,13-19H,3,11H2,1-2H3/t13?,14?,15-,16-,17-,18-,19+/m0/s1
InChIKey XXSLCEJZMPKKOA-FTOMONOLSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMlRBAK8wY4
Name (2S*,3R*,4S*,5S*)-3-[(S)-(2'-Methoxy-2'-phenylacetoxy)]-4-ethyltricyclo[4.2.1.0(2,5)]non-7-ene
CAS Registry Number 67700-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-3-15-16-13-9-10-14(11-13)17(16)19(15)23-20(21)18(22-2)12-7-5-4-6-8-12/h4-10,13-19H,3,11H2,1-2H3/t13?,14?,15-,16-,17-,18-,19+/m0/s1
InChIKey XXSLCEJZMPKKOA-FTOMONOLSA-N
Molecular Weight 312.409 g/mol
SMILES [C@@]12([C@](C3CC2C=C3)([H])[C@@]([C@]1(OC([C@](c1ccccc1)(OC)[H])=O)[H])(CC)[H])[H]
SPLASH splash10-00di-1900000000-3b4353d16933cba70a74
Source of Spectrum J-43-4563-0
Synonyms (2S,3R,4S,5S)-4-ethyltricyclo[4.2.1.0(2,5)]non-7-en-3-yl (2S)-methoxy(phenyl)ethanoate
Wiley ID 1313686