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(6-tert-butyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl) 4-nitrobenzoate
SpectraBase Compound ID F7VVV7aycv9
InChI InChI=1S/C21H27NO4/c1-21(2,3)16-9-12-18-15(13-16)5-4-6-19(18)26-20(23)14-7-10-17(11-8-14)22(24)25/h7-8,10-11,15-16H,4-6,9,12-13H2,1-3H3
InChIKey YUFKLLIWVZDBSL-UHFFFAOYSA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H27NO4
Exact Mass 357.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKv614BKbSF
Name (6-tert-butyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl) 4-nitrobenzoate
CAS Registry Number 70179-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO4
InChI InChI=1S/C21H27NO4/c1-21(2,3)16-9-12-18-15(13-16)5-4-6-19(18)26-20(23)14-7-10-17(11-8-14)22(24)25/h7-8,10-11,15-16H,4-6,9,12-13H2,1-3H3
InChIKey YUFKLLIWVZDBSL-UHFFFAOYSA-N
Molecular Weight 357.450 g/mol
SMILES c1(N(=O)=O)ccc(C(OC2=C3C(CC(CC3)C(C)(C)C)CCC2)=O)cc1
SPLASH splash10-0ue9-0900000000-05cdc9bda282b78e3393
Source of Spectrum J-44-2404-0
Synonyms 4-Nitrobenzoic acid (6-tert-butyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl) ester
Wiley ID 1346549