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[2-methyl-5-(1(13C))methyl-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)

[2-methyl-5-(1(13C))methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,3-pentafluoropropanoate
SpectraBase Compound ID ENpHvwDIKRW
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/i5+1
InChIKey MEGVLUSIMZVOBM-YBUXJFMLSA-N
Mol Weight 599.7 g/mol
Molecular Formula C3313CH47F5O3
Exact Mass 599.347891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dO3NwHGv3t
Name [2-methyl-5-(1(13C))methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,3-pentafluoropropanoate
Comments Original formula: C33[13C]H47F5O3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H47F5O3
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/i5+1
InChIKey MEGVLUSIMZVOBM-YBUXJFMLSA-N
Molecular Weight 599.731 g/mol
SMILES [13CH3]c1c2c(c3c(cccc3)c1OC(=O)C(C(F)(F)F)(F)F)OC(CC2)(C)CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H]
SPLASH splash10-000t-0009080000-d10618ad1902f09c600c
Source of Spectrum RCM-20-1897-Fig6b
Synonyms 2-Methyl-5-(methyl-¹³C)-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-benzo[h]chromen-6-yl 2,2,3,3,3-pentafluoropropanoate
Wiley ID 1820329