For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-2-pentynoic acid methyl ester
SpectraBase Compound ID 5wwlbJvijMM
InChI InChI=1S/C20H30O2/c1-15-11-12-17-19(2,3)13-8-14-20(17,4)16(15)9-6-7-10-18(21)22-5/h11,16-17H,6,8-9,12-14H2,1-5H3/t16-,17-,20+/m0/s1
InChIKey BDBCSOHZCIAQRK-ABSDTBQOSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Gx9vEPdYGr2
Name 5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-2-pentynoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-15-11-12-17-19(2,3)13-8-14-20(17,4)16(15)9-6-7-10-18(21)22-5/h11,16-17H,6,8-9,12-14H2,1-5H3/t16-,17-,20+/m0/s1
InChIKey BDBCSOHZCIAQRK-ABSDTBQOSA-N
Molecular Weight 302.458 g/mol
SMILES [C@]12([C@@](CC=C([C@@]2(CCC#CC(=O)OC)[H])C)(C(C)(C)CCC1)[H])C
SPLASH splash10-0a4i-0900000000-ed74f4d7cc5268659800
Source of Spectrum J-57-53-6
Synonyms 5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]pent-2-ynoic acid methyl ester Methyl 5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]pent-2-ynoate
Wiley ID 1305169