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(1a.alpha.,2.beta.,2a.beta.,3.beta.,6.beta.,6a.beta.,6b.alpha.)-1,1a,2,2a,3,6,6a,6b-octahydro-3,6-methanocyclopropa[a]inden-2-yl 4-nitrobenzoate

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(1a.alpha.,2.beta.,2a.beta.,3.beta.,6.beta.,6a.beta.,6b.alpha.)-1,1a,2,2a,3,6,6a,6b-octahydro-3,6-methanocyclopropa[a]inden-2-yl 4-nitrobenzoate
SpectraBase Compound ID 6qemF32ZI3V
InChI InChI=1S/C18H17NO4/c20-18(9-3-5-12(6-4-9)19(21)22)23-17-14-8-13(14)15-10-1-2-11(7-10)16(15)17/h1-6,10-11,13-17H,7-8H2/t10-,11+,13-,14+,15+,16+,17+/m1/s1
InChIKey LLWHYBFWCLCLBM-VKRMVOQSSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hMUvaq1zGi
Name (1a.alpha.,2.beta.,2a.beta.,3.beta.,6.beta.,6a.beta.,6b.alpha.)-1,1a,2,2a,3,6,6a,6b-octahydro-3,6-methanocyclopropa[a]inden-2-yl 4-nitrobenzoate
CAS Registry Number 115408-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c20-18(9-3-5-12(6-4-9)19(21)22)23-17-14-8-13(14)15-10-1-2-11(7-10)16(15)17/h1-6,10-11,13-17H,7-8H2/t10-,11+,13-,14+,15+,16+,17+/m1/s1
InChIKey LLWHYBFWCLCLBM-VKRMVOQSSA-N
Molecular Weight 311.337 g/mol
SMILES [C@]12([C@]([C@](OC(c3ccc(N(=O)=O)cc3)=O)([C@@]3([C@]1([C@@]1(C=C[C@@]3([H])C1)[H])[H])[H])[H])([H])C2)[H]
SPLASH splash10-00or-9000000000-7dd935aa8fd509755465
Source of Spectrum K-121-1673-24
Synonyms (1S,2S,3S,5S,6S,7S,8R)-tetracyclo[6.2.1.0(2,7).0(3,5)]undec-9-en-6-yl 4-nitrobenzoate
Wiley ID 1312485