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(-)-(1R,2R,3S,6S,7R,9S)-9-Isopropyl-3,6-dimethyltricyclo[4.3.1.0(3,7)]dec-2-yl-4-nitrobenzoate

View entire compound with spectra: 1 MS (GC)

(-)-(1R,2R,3S,6S,7R,9S)-9-Isopropyl-3,6-dimethyltricyclo[4.3.1.0(3,7)]dec-2-yl-4-nitrobenzoate
SpectraBase Compound ID NBVltwy8un
InChI InChI=1S/C22H29NO4/c1-13(2)16-11-18-21(3)9-10-22(18,4)19(17(16)12-21)27-20(24)14-5-7-15(8-6-14)23(25)26/h5-8,13,16-19H,9-12H2,1-4H3/t16-,17+,18+,19+,21-,22-/m0/s1
InChIKey XZVUENXDXAQEPI-QFJIJFTOSA-N
Mol Weight 371.48 g/mol
Molecular Formula C22H29NO4
Exact Mass 371.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13gspcjZku
Name (-)-(1R,2R,3S,6S,7R,9S)-9-Isopropyl-3,6-dimethyltricyclo[4.3.1.0(3,7)]dec-2-yl-4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO4
InChI InChI=1S/C22H29NO4/c1-13(2)16-11-18-21(3)9-10-22(18,4)19(17(16)12-21)27-20(24)14-5-7-15(8-6-14)23(25)26/h5-8,13,16-19H,9-12H2,1-4H3/t16-,17+,18+,19+,21-,22-/m0/s1
InChIKey XZVUENXDXAQEPI-QFJIJFTOSA-N
Molecular Weight 371.477 g/mol
SMILES [C@@]12([C@@]([C@]3([C@@](C[C@@]2([C@@](C3)(C)CC1)[H])(C(C)C)[H])[H])(OC(c1ccc(N(=O)=O)cc1)=O)[H])C
SPLASH splash10-0mi2-1910000000-e4a63a28d9cc5d1faecc
Source of Spectrum Y1-42-134-13
Synonyms (2R,3S,6S,7S,9S)-9-isopropyl-3,6-dimethyltricyclo[4.3.1.0(3,7)]dec-2-yl 4-nitrobenzoate
Wiley ID 1565199