SpectraBase Spectrum ID |
8CfcN2WViM6 |
Name |
1H-Naphtho[2,1-B]pyran-7-methanol, dodecahydro-7,10A-dimethyl-, [4ar-(4A.alpha.,6A.beta.,7.beta.,10A.alpha.,10B.beta.)]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.208930140 u |
Formula |
C16H28O2 |
InChI |
InChI=1S/C16H28O2/c1-15(11-17)8-4-9-16(2)12-5-3-10-18-13(12)6-7-14(15)16/h12-14,17H,3-11H2,1-2H3/t12-,13+,14-,15-,16+/m0/s1 |
InChIKey |
ZGRQADSCJZBVNO-XFIYOXNOSA-N |
Molecular Weight |
252.398 g/mol |
SMILES |
[C@@]12([C@]([C@@](CO)(C)CCC2)(CC[C@@]2([C@@]1(CCCO2)[H])[H])[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895275 |