SpectraBase Spectrum ID |
J59r7awoKrN |
Name |
(S,R)-1-[1-(1-Mercapto-3-phenylpropyl)heptyl]carbamic acid methyl ester |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C18H29NO2S |
InChI |
InChI=1S/C18H29NO2S/c1-3-4-5-9-12-16(19-18(20)21-2)17(22)14-13-15-10-7-6-8-11-15/h6-8,10-11,16-17,22H,3-5,9,12-14H2,1-2H3,(H,19,20)/t16-,17+/m1/s1 |
InChIKey |
BNDVVFPOFGOCBA-SJORKVTESA-N |
Molecular Weight |
323.495 g/mol |
SMILES |
N(C(=O)OC)[C@@]([C@](CCc1ccccc1)(S)[H])(CCCCCC)[H] |
SPLASH |
splash10-00di-2900000000-d60d055b9320144bf835 |
Source of Spectrum |
C5-2002-1811-3 |
Wiley ID |
1617767 |