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Norsesterterpene Dien Ester
SpectraBase Compound ID B4gGLq1sNlv
InChI InChI=1S/C25H40O2/c1-18(10-8-11-20(3)23(26)27-7)12-14-21-19(2)13-15-22-24(4,5)16-9-17-25(21,22)6/h8,10-11,20,22H,9,12-17H2,1-7H3/b11-8+,18-10+/t20-,22+,25-/m1/s1
InChIKey KIYHLAKXAOIJFX-SNQDTNPLSA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3a2TqBYBTwJ
Name Norsesterterpene Dien Ester
Alternate Name(s) 5-(4-Methoxycarbonyl-2-pentenylidene)-1,11,11-trimethyltricyclo[8.4.0.0(2,7)]tetradec-2(7)-ene norsesterterpene diene ester (7)
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Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-18(10-8-11-20(3)23(26)27-7)12-14-21-19(2)13-15-22-24(4,5)16-9-17-25(21,22)6/h8,10-11,20,22H,9,12-17H2,1-7H3/b11-8+,18-10+/t20-,22+,25-/m1/s1
InChIKey KIYHLAKXAOIJFX-SNQDTNPLSA-N
Molecular Weight 372.593 g/mol
SMILES [C@@]12(C(=C(C)CC[C@]2(C(C)(C)CCC1)[H])CC\C(=C\C=C\[C@](C(=O)OC)(C)[H])C)C
SPLASH splash10-0a4m-3900000000-19457f847d73f114cd59
Source of Spectrum B-44-84-7
Wiley ID 1355867