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8-Benzyl-2,10-dioxatricyclo[9.4.0.0(3,8)]pentadec-3-en-9-one
SpectraBase Compound ID Jx3hBkPaCpV
InChI InChI=1S/C20H24O3/c21-19-20(14-15-8-2-1-3-9-15)13-7-6-12-18(20)22-16-10-4-5-11-17(16)23-19/h1-3,8-9,12,16-17H,4-7,10-11,13-14H2/t16-,17-,20+/m0/s1
InChIKey PQURMVSJDJYOOP-ABSDTBQOSA-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 5lPZiOeVQu8
Name 8-Benzyl-2,10-dioxatricyclo[9.4.0.0(3,8)]pentadec-3-en-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c21-19-20(14-15-8-2-1-3-9-15)13-7-6-12-18(20)22-16-10-4-5-11-17(16)23-19/h1-3,8-9,12,16-17H,4-7,10-11,13-14H2/t16-,17-,20+/m0/s1
InChIKey PQURMVSJDJYOOP-ABSDTBQOSA-N
Molecular Weight 312.409 g/mol
SMILES [C@@]12(C(O[C@]3(CCCC[C@@]3(OC2=CCCC1)[H])[H])=O)Cc1ccccc1
SPLASH splash10-0536-5900000000-62cea6f2d6e3718892be
Source of Spectrum AT-33-3482-6
Synonyms (1S,8R,11S)-8-Benzyl-2,10-dioxatricyclo[9.4.0.0(3,8)]pentadec-3-en-9-one 11a-benzyl-1,2,3,5a,6,7,8,9,9a,11a-decahydro-11H-dibenzo[b,e][1,4]dioxepin-11-one
Wiley ID 836244