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(1'R,3a'R,4'S.7'R,7a'S,1"R,2"R,5"R)-1'-[2''-(1"'-Methoxymethoxymethylvinyl)-5"-methylcyclopentylmethyl]-2',3',3a',4',7',7a'-Hexahydro-1H-4',7'-methanoindene-1'-cyano-3'-spiro-2-[1,3]dioxolane

View entire compound with spectra: 1 MS (GC)

(1'R,3a'R,4'S.7'R,7a'S,1"R,2"R,5"R)-1'-[2''-(1"'-Methoxymethoxymethylvinyl)-5"-methylcyclopentylmethyl]-2',3',3a',4',7',7a'-Hexahydro-1H-4',7'-methanoindene-1'-cyano-3'-spiro-2-[1,3]dioxolane
SpectraBase Compound ID Fwzvcs4Ba9X
InChI InChI=1S/C25H35NO4/c1-16-4-7-20(17(2)12-28-15-27-3)21(16)11-24(14-26)13-25(29-8-9-30-25)23-19-6-5-18(10-19)22(23)24/h5-6,16,18-23H,2,4,7-13,15H2,1,3H3/t16-,18-,19-,20+,21-,22+,23-,24+/m1/s1
InChIKey LOOUMBSGMHYBLG-VGPZEJPGSA-N
Mol Weight 413.6 g/mol
Molecular Formula C25H35NO4
Exact Mass 413.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Wpm6hNeRU
Name (1'R,3a'R,4'S.7'R,7a'S,1"R,2"R,5"R)-1'-[2''-(1"'-Methoxymethoxymethylvinyl)-5"-methylcyclopentylmethyl]-2',3',3a',4',7',7a'-Hexahydro-1H-4',7'-methanoindene-1'-cyano-3'-spiro-2-[1,3]dioxolane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO4
InChI InChI=1S/C25H35NO4/c1-16-4-7-20(17(2)12-28-15-27-3)21(16)11-24(14-26)13-25(29-8-9-30-25)23-19-6-5-18(10-19)22(23)24/h5-6,16,18-23H,2,4,7-13,15H2,1,3H3/t16-,18-,19-,20+,21-,22+,23-,24+/m1/s1
InChIKey LOOUMBSGMHYBLG-VGPZEJPGSA-N
Molecular Weight 413.558 g/mol
SMILES C12([C@]3([C@@]([C@@]4([H])C[C@]3(C=C4)[H])([H])[C@](C2)(C[C@]2([C@](C(=C)COCOC)(CC[C@]2(C)[H])[H])[H])C#N)[H])OCCO1
SPLASH splash10-014r-2092000000-c170b0105aad8b564f79
Source of Spectrum F-70-1665-24
Wiley ID 1596362