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6,9-Ethanocycloocta[b]furan, benzeneacetic acid deriv.
SpectraBase Compound ID 1Zx5KXiFMvs
InChI InChI=1S/C25H30O3/c1-5-20(18-9-7-6-8-10-18)24(26)28-22-14-19-11-12-27-23(19)21-13-17(3)25(22,4)15-16(21)2/h6-13,16,20-22H,5,14-15H2,1-4H3/t16-,20?,21+,22+,25+/m1/s1
InChIKey SIZBYSNAWIUUSV-XLMODQEISA-N
Mol Weight 378.51 g/mol
Molecular Formula C25H30O3
Exact Mass 378.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElN4gbCBBdr
Name 6,9-Ethanocycloocta[b]furan, benzeneacetic acid deriv.
CAS Registry Number 112348-67-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O3
InChI InChI=1S/C25H30O3/c1-5-20(18-9-7-6-8-10-18)24(26)28-22-14-19-11-12-27-23(19)21-13-17(3)25(22,4)15-16(21)2/h6-13,16,20-22H,5,14-15H2,1-4H3/t16-,20?,21+,22+,25+/m1/s1
InChIKey SIZBYSNAWIUUSV-XLMODQEISA-N
Molecular Weight 378.512 g/mol
SMILES [C@]12(C(=C[C@](c3occc3C[C@@]2(OC(C(c2ccccc2)CC)=O)[H])([C@@](C1)(C)[H])[H])C)C
SPLASH splash10-014l-5930000000-1db25ac2c2efa3342a7a
Source of Spectrum J-53-884-5
Synonyms Benzeneacetic acid, .alpha.-ethyl-, 4,5,6,9-tetrahydro-6,7,11-trimethyl-6,9-ethanocycloocta[b]furan-5-yl ester, [5S-[5.alpha.(R*),6.beta.,9.beta.,11S*]]- (1R,8S,9S,12R)-9,10,12-trimethyl-3-oxatricyclo[7.2.2.0(2,6)]trideca-2(6),4,10-trien-8-yl 2-phenylbutanoate
Wiley ID 1359058