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[7,8,9,10-tetradeuterio-2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,3-pentafluoropropanoate

View entire compound with spectra: 1 MS (GC)

[7,8,9,10-tetradeuterio-2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,3-pentafluoropropanoate
SpectraBase Compound ID 75fQjh8jClX
InChI InChI=1S/C34H47F5O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-32(6)21-19-26-25(5)29(41-31(40)33(35,36)34(37,38)39)27-17-7-8-18-28(27)30(26)42-32/h7-8,17-18,22-24H,9-16,19-21H2,1-6H3/t23-,24-,32?/m1/s1/i7D,8D,17D,18D
InChIKey MEGVLUSIMZVOBM-JCYCMPRTSA-N
Mol Weight 602.8 g/mol
Molecular Formula C34H43D4F5O3
Exact Mass 602.369643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gqe57VvdSy
Name [7,8,9,10-tetradeuterio-2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,3-pentafluoropropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H43D4F5O3
InChI InChI=1S/C34H47F5O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-32(6)21-19-26-25(5)29(41-31(40)33(35,36)34(37,38)39)27-17-7-8-18-28(27)30(26)42-32/h7-8,17-18,22-24H,9-16,19-21H2,1-6H3/t23-,24-,32?/m1/s1/i7D,8D,17D,18D
InChIKey MEGVLUSIMZVOBM-JCYCMPRTSA-N
Molecular Weight 602.763 g/mol
SMILES c1(c(c(c(c2c1c(c(c1c2OC(CC1)(C)CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)OC(=O)C(C(F)(F)F)(F)F)[D])[D])[D])[D]
SPLASH splash10-0udr-0009008000-43e03bd3c262112ee07d
Source of Spectrum RCM-20-1897-Fig6c
Synonyms 2,5-Dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-benzo[h]chromen-6-yl-7,8,9,10-d4 2,2,3,3,3-pentafluoropropanoate
Wiley ID 1820330