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2-Nitro-8-[(Trifluoromethanesulfonyl)oxy]-5,11-trans-diethyl-5,6,11,12-tetrahydrocyrysene
SpectraBase Compound ID 4UHTHDkgIHS
InChI InChI=1S/C23H22F3NO5S/c1-3-13-9-15-11-17(27(28)29)5-7-19(15)21-14(4-2)10-16-12-18(6-8-20(16)22(13)21)32-33(30,31)23(24,25)26/h5-8,11-14H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKey BNEDUTWDRUKRTH-UONOGXRCSA-N
Mol Weight 481.49 g/mol
Molecular Formula C23H22F3NO5S
Exact Mass 481.117078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bpkml7ZNk3t
Name 2-Nitro-8-[(Trifluoromethanesulfonyl)oxy]-5,11-trans-diethyl-5,6,11,12-tetrahydrocyrysene
CAS Registry Number 138128-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22F3NO5S
InChI InChI=1S/C23H22F3NO5S/c1-3-13-9-15-11-17(27(28)29)5-7-19(15)21-14(4-2)10-16-12-18(6-8-20(16)22(13)21)32-33(30,31)23(24,25)26/h5-8,11-14H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKey BNEDUTWDRUKRTH-UONOGXRCSA-N
Molecular Weight 481.486 g/mol
SMILES C(S(Oc1cc2C[C@@](CC)(C3=C(c2cc1)[C@](Cc1cc(N(=O)=O)ccc31)(CC)[H])[H])(=O)=O)(F)(F)F
SPLASH splash10-0f89-0001900000-e23368bf2813bb41a7dd
Source of Spectrum J-57-1270-19
Synonyms (5S,11R)-5,11-diethyl-8-nitro-5,6,11,12-tetrahydro-2-chrysenyl trifluoromethanesulfonate
Wiley ID 1395377